 Entering Link 1 = C:\G09W\l1.exe PID=     13208.
  
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 Cite this work as:
 Gaussian 09, Revision A.02,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2009.
 
 ******************************************
 Gaussian 09:  IA32W-G09RevA.02 11-Jun-2009
                28-Feb-2022 
 ******************************************
 %chk=C:\Users\Alejandro Morales\Desktop\Ligands Covid\Ligandos paper 2\Lopinavir
 .chk
 ---------------------------
 # opt am1 geom=connectivity
 ---------------------------
 1/14=-1,18=20,19=15,26=1,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=2,16=1,25=1,41=700000,71=1/1,2,3;
 4/35=1/1;
 5/5=2,35=1,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=2,16=1,25=1,41=700000,71=1,135=20/1,2,3;
 4/5=5,16=3,35=1/1;
 5/5=2,35=1,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 -----
 92727
 -----
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 O(PDBName=O1,ResName=UNK,ResNum=1)  2.252     0.606     0.935 
 O(PDBName=O2,ResName=UNK,ResNum=1) -1.074     1.449     3.014 
 O(PDBName=O3,ResName=UNK,ResNum=1)  3.105     3.848     2.554 
 O(PDBName=O4,ResName=UNK,ResNum=1)  3.393    -2.961    -2.363 
 O(PDBName=O5,ResName=UNK,ResNum=1)  5.996    -0.857    -1.206 
 N(PDBName=N6,ResName=UNK,ResNum=1)  1.745     2.503     3.859 
 N(PDBName=N7,ResName=UNK,ResNum=1) -0.076     2.399     1.2 
 N(PDBName=N8,ResName=UNK,ResNum=1)  3.431    -1.51     -0.619 
 N(PDBName=N9,ResName=UNK,ResNum=1)  4.058     2.244     3.753 
 C(PDBName=C10,ResName=UNK,ResNum=1) -0.63      1.527     0.16 
 C(PDBName=C11,ResName=UNK,ResNum=1)  0.52      3.216     3.413 
 C(PDBName=C12,ResName=UNK,ResNum=1) -0.02      0.094     0.176 
 C(PDBName=C13,ResName=UNK,ResNum=1)  1.506    -0.033    -0.088 
 C(PDBName=C14,ResName=UNK,ResNum=1) -0.355     3.77      4.584 
 C(PDBName=C15,ResName=UNK,ResNum=1)  2.003    -1.496    -0.266 
 C(PDBName=C16,ResName=UNK,ResNum=1) -0.551     2.191    -1.237 
 C(PDBName=C17,ResName=UNK,ResNum=1) -0.309     2.276     2.516 
 C(PDBName=C18,ResName=UNK,ResNum=1)  1.645     1.492     4.948 
 C(PDBName=C19,ResName=UNK,ResNum=1)  2.825     0.514     4.894 
 C(PDBName=C20,ResName=UNK,ResNum=1)  1.694    -2.404     0.961 
 C(PDBName=C21,ResName=UNK,ResNum=1)  2.958     2.94      3.373 
 C(PDBName=C22,ResName=UNK,ResNum=1) -1.672     4.43      4.119 
 C(PDBName=C23,ResName=UNK,ResNum=1)  0.439     4.785     5.427 
 C(PDBName=C24,ResName=UNK,ResNum=1)  4.126     1.317     4.887 
 C(PDBName=C25,ResName=UNK,ResNum=1) -1.249     3.545    -1.318 
 C(PDBName=C26,ResName=UNK,ResNum=1)  2.316    -3.796     0.905 
 C(PDBName=C27,ResName=UNK,ResNum=1)  4.015    -2.218    -1.604 
 C(PDBName=C28,ResName=UNK,ResNum=1) -2.616     3.608    -1.604 
 C(PDBName=C29,ResName=UNK,ResNum=1) -0.525     4.721    -1.095 
 C(PDBName=C30,ResName=UNK,ResNum=1)  1.739    -4.784     0.103 
 C(PDBName=C31,ResName=UNK,ResNum=1)  3.471    -4.077     1.642 
 C(PDBName=C32,ResName=UNK,ResNum=1)  5.539    -2.099    -1.753 
 C(PDBName=C33,ResName=UNK,ResNum=1) -3.257     4.843    -1.666 
 C(PDBName=C34,ResName=UNK,ResNum=1) -1.167     5.955    -1.156 
 C(PDBName=C35,ResName=UNK,ResNum=1) -2.53      6.01     -1.442 
 C(PDBName=C36,ResName=UNK,ResNum=1)  2.317    -6.048     0.034 
 C(PDBName=C37,ResName=UNK,ResNum=1)  4.049    -5.341     1.572 
 C(PDBName=C38,ResName=UNK,ResNum=1)  3.47     -6.321     0.768 
 C(PDBName=C39,ResName=UNK,ResNum=1)  7.13     -0.923    -0.426 
 C(PDBName=C40,ResName=UNK,ResNum=1)  7.023    -0.68      0.953 
 C(PDBName=C41,ResName=UNK,ResNum=1)  8.391    -1.199    -0.989 
 C(PDBName=C42,ResName=UNK,ResNum=1)  8.159    -0.754     1.763 
 C(PDBName=C43,ResName=UNK,ResNum=1)  9.516    -1.271    -0.163 
 C(PDBName=C44,ResName=UNK,ResNum=1)  5.681    -0.341     1.585 
 C(PDBName=C45,ResName=UNK,ResNum=1)  8.561    -1.41     -2.486 
 C(PDBName=C46,ResName=UNK,ResNum=1)  9.4      -1.055     1.208 
 H(PDBName=H47,ResName=UNK,ResNum=1) -1.695     1.41      0.373 
 H(PDBName=H48,ResName=UNK,ResNum=1)  0.77      4.08      2.797 
 H(PDBName=H49,ResName=UNK,ResNum=1) -0.258    -0.374     1.132 
 H(PDBName=H50,ResName=UNK,ResNum=1) -0.55     -0.504    -0.567 
 H(PDBName=H51,ResName=UNK,ResNum=1)  1.74      0.501    -1.01 
 H(PDBName=H52,ResName=UNK,ResNum=1) -0.631     2.948     5.246 
 H(PDBName=H53,ResName=UNK,ResNum=1)  1.437    -1.907    -1.106 
 H(PDBName=H54,ResName=UNK,ResNum=1)  0.572     3.109     0.89 
 H(PDBName=H55,ResName=UNK,ResNum=1)  0.489     2.323    -1.541 
 H(PDBName=H56,ResName=UNK,ResNum=1) -0.99      1.532    -1.987 
 H(PDBName=H57,ResName=UNK,ResNum=1)  1.642     2.015     5.904 
 H(PDBName=H58,ResName=UNK,ResNum=1)  0.704     0.948     4.877 
 H(PDBName=H59,ResName=UNK,ResNum=1)  2.798    -0.158     5.752 
 H(PDBName=H60,ResName=UNK,ResNum=1)  2.756    -0.114     4.003 
 H(PDBName=H61,ResName=UNK,ResNum=1)  2.019    -1.914     1.88 
 H(PDBName=H62,ResName=UNK,ResNum=1)  0.616    -2.529     1.069 
 H(PDBName=H63,ResName=UNK,ResNum=1) -1.482     5.215     3.387 
 H(PDBName=H64,ResName=UNK,ResNum=1) -2.199     4.885     4.959 
 H(PDBName=H65,ResName=UNK,ResNum=1) -2.363     3.716     3.671 
 H(PDBName=H66,ResName=UNK,ResNum=1)  0.763     5.632     4.821 
 H(PDBName=H67,ResName=UNK,ResNum=1)  1.328     4.337     5.87 
 H(PDBName=H68,ResName=UNK,ResNum=1) -0.165     5.175     6.246 
 H(PDBName=H69,ResName=UNK,ResNum=1)  4.994     0.666     4.782 
 H(PDBName=H70,ResName=UNK,ResNum=1)  4.249     1.885     5.81 
 H(PDBName=H71,ResName=UNK,ResNum=1)  4.025    -0.928    -0.045 
 H(PDBName=H72,ResName=UNK,ResNum=1)  4.932     2.514     3.326 
 H(PDBName=H73,ResName=UNK,ResNum=1)  1.936     1.508     1.024 
 H(PDBName=H74,ResName=UNK,ResNum=1) -3.181     2.703    -1.775 
 H(PDBName=H75,ResName=UNK,ResNum=1)  0.531     4.679    -0.869 
 H(PDBName=H76,ResName=UNK,ResNum=1)  0.85     -4.569    -0.473 
 H(PDBName=H77,ResName=UNK,ResNum=1)  3.925    -3.318     2.262 
 H(PDBName=H78,ResName=UNK,ResNum=1)  5.8      -2.135    -2.811 
 H(PDBName=H79,ResName=UNK,ResNum=1)  5.994    -2.97     -1.276 
 H(PDBName=H80,ResName=UNK,ResNum=1) -4.313     4.895    -1.886 
 H(PDBName=H81,ResName=UNK,ResNum=1) -0.611     6.864    -0.982 
 H(PDBName=H82,ResName=UNK,ResNum=1) -3.027     6.967    -1.489 
 H(PDBName=H83,ResName=UNK,ResNum=1)  1.876    -6.813    -0.588 
 H(PDBName=H84,ResName=UNK,ResNum=1)  4.943    -5.561     2.136 
 H(PDBName=H85,ResName=UNK,ResNum=1)  3.919    -7.302     0.713 
 H(PDBName=H86,ResName=UNK,ResNum=1)  8.084    -0.579     2.826 
 H(PDBName=H87,ResName=UNK,ResNum=1)  10.487   -1.49     -0.582 
 H(PDBName=H88,ResName=UNK,ResNum=1)  5.804     0.09      2.578 
 H(PDBName=H89,ResName=UNK,ResNum=1)  5.071    -1.239     1.681 
 H(PDBName=H90,ResName=UNK,ResNum=1)  5.137     0.384     0.979 
 H(PDBName=H91,ResName=UNK,ResNum=1)  9.587    -1.22     -2.803 
 H(PDBName=H92,ResName=UNK,ResNum=1)  7.915    -0.738    -3.052 
 H(PDBName=H93,ResName=UNK,ResNum=1)  8.311    -2.437    -2.753 
 H(PDBName=H94,ResName=UNK,ResNum=1)  10.275   -1.111     1.84 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,13)                 1.4182         estimate D2E/DX2                !
 ! R2    R(1,73)                 0.9599         estimate D2E/DX2                !
 ! R3    R(2,17)                 1.2317         estimate D2E/DX2                !
 ! R4    R(3,21)                 1.2316         estimate D2E/DX2                !
 ! R5    R(4,27)                 1.2309         estimate D2E/DX2                !
 ! R6    R(5,32)                 1.432          estimate D2E/DX2                !
 ! R7    R(5,39)                 1.3779         estimate D2E/DX2                !
 ! R8    R(6,11)                 1.4859         estimate D2E/DX2                !
 ! R9    R(6,18)                 1.4893         estimate D2E/DX2                !
 ! R10   R(6,21)                 1.3779         estimate D2E/DX2                !
 ! R11   R(7,10)                 1.4659         estimate D2E/DX2                !
 ! R12   R(7,17)                 1.3421         estimate D2E/DX2                !
 ! R13   R(7,54)                 1.01           estimate D2E/DX2                !
 ! R14   R(8,15)                 1.4711         estimate D2E/DX2                !
 ! R15   R(8,27)                 1.3463         estimate D2E/DX2                !
 ! R16   R(8,71)                 1.0105         estimate D2E/DX2                !
 ! R17   R(9,21)                 1.356          estimate D2E/DX2                !
 ! R18   R(9,24)                 1.4663         estimate D2E/DX2                !
 ! R19   R(9,72)                 1.0095         estimate D2E/DX2                !
 ! R20   R(10,12)                1.5575         estimate D2E/DX2                !
 ! R21   R(10,16)                1.5488         estimate D2E/DX2                !
 ! R22   R(10,47)                1.0924         estimate D2E/DX2                !
 ! R23   R(11,14)                1.5633         estimate D2E/DX2                !
 ! R24   R(11,17)                1.5412         estimate D2E/DX2                !
 ! R25   R(11,48)                1.0902         estimate D2E/DX2                !
 ! R26   R(12,13)                1.5539         estimate D2E/DX2                !
 ! R27   R(12,49)                1.0907         estimate D2E/DX2                !
 ! R28   R(12,50)                1.0911         estimate D2E/DX2                !
 ! R29   R(13,15)                1.5553         estimate D2E/DX2                !
 ! R30   R(13,51)                1.0909         estimate D2E/DX2                !
 ! R31   R(14,22)                1.5448         estimate D2E/DX2                !
 ! R32   R(14,23)                1.5399         estimate D2E/DX2                !
 ! R33   R(14,52)                1.0909         estimate D2E/DX2                !
 ! R34   R(15,20)                1.5574         estimate D2E/DX2                !
 ! R35   R(15,53)                1.0931         estimate D2E/DX2                !
 ! R36   R(16,25)                1.5255         estimate D2E/DX2                !
 ! R37   R(16,55)                1.0915         estimate D2E/DX2                !
 ! R38   R(16,56)                1.0906         estimate D2E/DX2                !
 ! R39   R(18,19)                1.5336         estimate D2E/DX2                !
 ! R40   R(18,57)                1.0897         estimate D2E/DX2                !
 ! R41   R(18,58)                1.0892         estimate D2E/DX2                !
 ! R42   R(19,24)                1.5289         estimate D2E/DX2                !
 ! R43   R(19,59)                1.0902         estimate D2E/DX2                !
 ! R44   R(19,60)                1.0923         estimate D2E/DX2                !
 ! R45   R(20,26)                1.5257         estimate D2E/DX2                !
 ! R46   R(20,61)                1.091          estimate D2E/DX2                !
 ! R47   R(20,62)                1.0906         estimate D2E/DX2                !
 ! R48   R(22,63)                1.09           estimate D2E/DX2                !
 ! R49   R(22,64)                1.091          estimate D2E/DX2                !
 ! R50   R(22,65)                1.0899         estimate D2E/DX2                !
 ! R51   R(23,66)                1.0907         estimate D2E/DX2                !
 ! R52   R(23,67)                1.0896         estimate D2E/DX2                !
 ! R53   R(23,68)                1.0898         estimate D2E/DX2                !
 ! R54   R(24,69)                1.0901         estimate D2E/DX2                !
 ! R55   R(24,70)                1.0907         estimate D2E/DX2                !
 ! R56   R(25,28)                1.398          estimate D2E/DX2                !
 ! R57   R(25,29)                1.3989         estimate D2E/DX2                !
 ! R58   R(26,30)                1.3972         estimate D2E/DX2                !
 ! R59   R(26,31)                1.3986         estimate D2E/DX2                !
 ! R60   R(27,32)                1.5359         estimate D2E/DX2                !
 ! R61   R(28,33)                1.3928         estimate D2E/DX2                !
 ! R62   R(28,74)                1.0805         estimate D2E/DX2                !
 ! R63   R(29,34)                1.3924         estimate D2E/DX2                !
 ! R64   R(29,75)                1.0807         estimate D2E/DX2                !
 ! R65   R(30,36)                1.3916         estimate D2E/DX2                !
 ! R66   R(30,76)                1.0809         estimate D2E/DX2                !
 ! R67   R(31,37)                1.3916         estimate D2E/DX2                !
 ! R68   R(31,77)                1.0801         estimate D2E/DX2                !
 ! R69   R(32,78)                1.0903         estimate D2E/DX2                !
 ! R70   R(32,79)                1.0923         estimate D2E/DX2                !
 ! R71   R(33,35)                1.3931         estimate D2E/DX2                !
 ! R72   R(33,80)                1.0799         estimate D2E/DX2                !
 ! R73   R(34,35)                1.3938         estimate D2E/DX2                !
 ! R74   R(34,81)                1.0797         estimate D2E/DX2                !
 ! R75   R(35,82)                1.0794         estimate D2E/DX2                !
 ! R76   R(36,38)                1.3938         estimate D2E/DX2                !
 ! R77   R(36,83)                1.0801         estimate D2E/DX2                !
 ! R78   R(37,38)                1.3936         estimate D2E/DX2                !
 ! R79   R(37,84)                1.0797         estimate D2E/DX2                !
 ! R80   R(38,85)                1.0803         estimate D2E/DX2                !
 ! R81   R(39,40)                1.4043         estimate D2E/DX2                !
 ! R82   R(39,41)                1.4083         estimate D2E/DX2                !
 ! R83   R(40,42)                1.3972         estimate D2E/DX2                !
 ! R84   R(40,44)                1.5216         estimate D2E/DX2                !
 ! R85   R(41,43)                1.3975         estimate D2E/DX2                !
 ! R86   R(41,45)                1.5213         estimate D2E/DX2                !
 ! R87   R(42,46)                1.3924         estimate D2E/DX2                !
 ! R88   R(42,86)                1.0799         estimate D2E/DX2                !
 ! R89   R(43,46)                1.3928         estimate D2E/DX2                !
 ! R90   R(43,87)                1.08           estimate D2E/DX2                !
 ! R91   R(44,88)                1.0895         estimate D2E/DX2                !
 ! R92   R(44,89)                1.0898         estimate D2E/DX2                !
 ! R93   R(44,90)                1.0903         estimate D2E/DX2                !
 ! R94   R(45,91)                1.0905         estimate D2E/DX2                !
 ! R95   R(45,92)                1.0905         estimate D2E/DX2                !
 ! R96   R(45,93)                1.0902         estimate D2E/DX2                !
 ! R97   R(46,94)                1.0808         estimate D2E/DX2                !
 ! A1    A(13,1,73)            108.4881         estimate D2E/DX2                !
 ! A2    A(32,5,39)            115.9331         estimate D2E/DX2                !
 ! A3    A(11,6,18)            119.3311         estimate D2E/DX2                !
 ! A4    A(11,6,21)            117.8859         estimate D2E/DX2                !
 ! A5    A(18,6,21)            122.1623         estimate D2E/DX2                !
 ! A6    A(10,7,17)            125.1364         estimate D2E/DX2                !
 ! A7    A(10,7,54)            116.2876         estimate D2E/DX2                !
 ! A8    A(17,7,54)            118.4743         estimate D2E/DX2                !
 ! A9    A(15,8,27)            126.9885         estimate D2E/DX2                !
 ! A10   A(15,8,71)            115.3947         estimate D2E/DX2                !
 ! A11   A(27,8,71)            117.6135         estimate D2E/DX2                !
 ! A12   A(21,9,24)            125.3694         estimate D2E/DX2                !
 ! A13   A(21,9,72)            116.5192         estimate D2E/DX2                !
 ! A14   A(24,9,72)            117.1339         estimate D2E/DX2                !
 ! A15   A(7,10,12)            113.0787         estimate D2E/DX2                !
 ! A16   A(7,10,16)            111.4459         estimate D2E/DX2                !
 ! A17   A(7,10,47)            107.0873         estimate D2E/DX2                !
 ! A18   A(12,10,16)           112.5654         estimate D2E/DX2                !
 ! A19   A(12,10,47)           106.3371         estimate D2E/DX2                !
 ! A20   A(16,10,47)           105.7551         estimate D2E/DX2                !
 ! A21   A(6,11,14)            113.9952         estimate D2E/DX2                !
 ! A22   A(6,11,17)            108.9939         estimate D2E/DX2                !
 ! A23   A(6,11,48)            111.1519         estimate D2E/DX2                !
 ! A24   A(14,11,17)           110.5506         estimate D2E/DX2                !
 ! A25   A(14,11,48)           105.7095         estimate D2E/DX2                !
 ! A26   A(17,11,48)           106.1323         estimate D2E/DX2                !
 ! A27   A(10,12,13)           117.2632         estimate D2E/DX2                !
 ! A28   A(10,12,49)           108.5617         estimate D2E/DX2                !
 ! A29   A(10,12,50)           107.8792         estimate D2E/DX2                !
 ! A30   A(13,12,49)           109.1562         estimate D2E/DX2                !
 ! A31   A(13,12,50)           108.4538         estimate D2E/DX2                !
 ! A32   A(49,12,50)           104.8151         estimate D2E/DX2                !
 ! A33   A(1,13,12)            110.9283         estimate D2E/DX2                !
 ! A34   A(1,13,15)            109.7723         estimate D2E/DX2                !
 ! A35   A(1,13,51)            106.0377         estimate D2E/DX2                !
 ! A36   A(12,13,15)           114.2135         estimate D2E/DX2                !
 ! A37   A(12,13,51)           108.3155         estimate D2E/DX2                !
 ! A38   A(15,13,51)           107.1686         estimate D2E/DX2                !
 ! A39   A(11,14,22)           113.7738         estimate D2E/DX2                !
 ! A40   A(11,14,23)           110.7968         estimate D2E/DX2                !
 ! A41   A(11,14,52)           109.2167         estimate D2E/DX2                !
 ! A42   A(22,14,23)           108.8302         estimate D2E/DX2                !
 ! A43   A(22,14,52)           106.7921         estimate D2E/DX2                !
 ! A44   A(23,14,52)           107.1516         estimate D2E/DX2                !
 ! A45   A(8,15,13)            110.28           estimate D2E/DX2                !
 ! A46   A(8,15,20)            112.093          estimate D2E/DX2                !
 ! A47   A(8,15,53)            108.3402         estimate D2E/DX2                !
 ! A48   A(13,15,20)           113.2564         estimate D2E/DX2                !
 ! A49   A(13,15,53)           106.0312         estimate D2E/DX2                !
 ! A50   A(20,15,53)           106.4681         estimate D2E/DX2                !
 ! A51   A(10,16,25)           113.8965         estimate D2E/DX2                !
 ! A52   A(10,16,55)           110.5888         estimate D2E/DX2                !
 ! A53   A(10,16,56)           109.9192         estimate D2E/DX2                !
 ! A54   A(25,16,55)           108.2905         estimate D2E/DX2                !
 ! A55   A(25,16,56)           108.3983         estimate D2E/DX2                !
 ! A56   A(55,16,56)           105.3706         estimate D2E/DX2                !
 ! A57   A(2,17,7)             124.4577         estimate D2E/DX2                !
 ! A58   A(2,17,11)            120.5472         estimate D2E/DX2                !
 ! A59   A(7,17,11)            114.9228         estimate D2E/DX2                !
 ! A60   A(6,18,19)            110.8244         estimate D2E/DX2                !
 ! A61   A(6,18,57)            108.4133         estimate D2E/DX2                !
 ! A62   A(6,18,58)            110.4491         estimate D2E/DX2                !
 ! A63   A(19,18,57)           109.8211         estimate D2E/DX2                !
 ! A64   A(19,18,58)           110.1167         estimate D2E/DX2                !
 ! A65   A(57,18,58)           107.1277         estimate D2E/DX2                !
 ! A66   A(18,19,24)           108.6615         estimate D2E/DX2                !
 ! A67   A(18,19,59)           110.2635         estimate D2E/DX2                !
 ! A68   A(18,19,60)           110.2908         estimate D2E/DX2                !
 ! A69   A(24,19,59)           110.3916         estimate D2E/DX2                !
 ! A70   A(24,19,60)           110.6098         estimate D2E/DX2                !
 ! A71   A(59,19,60)           106.6209         estimate D2E/DX2                !
 ! A72   A(15,20,26)           114.9695         estimate D2E/DX2                !
 ! A73   A(15,20,61)           110.0407         estimate D2E/DX2                !
 ! A74   A(15,20,62)           109.9357         estimate D2E/DX2                !
 ! A75   A(26,20,61)           108.6175         estimate D2E/DX2                !
 ! A76   A(26,20,62)           107.5804         estimate D2E/DX2                !
 ! A77   A(61,20,62)           105.2193         estimate D2E/DX2                !
 ! A78   A(3,21,6)             124.9913         estimate D2E/DX2                !
 ! A79   A(3,21,9)             117.9002         estimate D2E/DX2                !
 ! A80   A(6,21,9)             116.9042         estimate D2E/DX2                !
 ! A81   A(14,22,63)           111.1757         estimate D2E/DX2                !
 ! A82   A(14,22,64)           110.9915         estimate D2E/DX2                !
 ! A83   A(14,22,65)           112.6031         estimate D2E/DX2                !
 ! A84   A(63,22,64)           107.5111         estimate D2E/DX2                !
 ! A85   A(63,22,65)           107.8333         estimate D2E/DX2                !
 ! A86   A(64,22,65)           106.4644         estimate D2E/DX2                !
 ! A87   A(14,23,66)           111.1535         estimate D2E/DX2                !
 ! A88   A(14,23,67)           111.8541         estimate D2E/DX2                !
 ! A89   A(14,23,68)           111.1932         estimate D2E/DX2                !
 ! A90   A(66,23,67)           107.6267         estimate D2E/DX2                !
 ! A91   A(66,23,68)           107.7148         estimate D2E/DX2                !
 ! A92   A(67,23,68)           107.0845         estimate D2E/DX2                !
 ! A93   A(9,24,19)            107.2256         estimate D2E/DX2                !
 ! A94   A(9,24,69)            109.8769         estimate D2E/DX2                !
 ! A95   A(9,24,70)            109.2971         estimate D2E/DX2                !
 ! A96   A(19,24,69)           111.3688         estimate D2E/DX2                !
 ! A97   A(19,24,70)           111.4444         estimate D2E/DX2                !
 ! A98   A(69,24,70)           107.6208         estimate D2E/DX2                !
 ! A99   A(16,25,28)           119.8856         estimate D2E/DX2                !
 ! A100  A(16,25,29)           120.0591         estimate D2E/DX2                !
 ! A101  A(28,25,29)           120.0529         estimate D2E/DX2                !
 ! A102  A(20,26,30)           119.8588         estimate D2E/DX2                !
 ! A103  A(20,26,31)           120.0423         estimate D2E/DX2                !
 ! A104  A(30,26,31)           120.0939         estimate D2E/DX2                !
 ! A105  A(4,27,8)             123.3255         estimate D2E/DX2                !
 ! A106  A(4,27,32)            119.2339         estimate D2E/DX2                !
 ! A107  A(8,27,32)            117.4294         estimate D2E/DX2                !
 ! A108  A(25,28,33)           119.9385         estimate D2E/DX2                !
 ! A109  A(25,28,74)           120.3934         estimate D2E/DX2                !
 ! A110  A(33,28,74)           119.6679         estimate D2E/DX2                !
 ! A111  A(25,29,34)           119.9628         estimate D2E/DX2                !
 ! A112  A(25,29,75)           120.4228         estimate D2E/DX2                !
 ! A113  A(34,29,75)           119.6133         estimate D2E/DX2                !
 ! A114  A(26,30,36)           119.9479         estimate D2E/DX2                !
 ! A115  A(26,30,76)           120.3227         estimate D2E/DX2                !
 ! A116  A(36,30,76)           119.7267         estimate D2E/DX2                !
 ! A117  A(26,31,37)           119.9316         estimate D2E/DX2                !
 ! A118  A(26,31,77)           120.5582         estimate D2E/DX2                !
 ! A119  A(37,31,77)           119.5087         estimate D2E/DX2                !
 ! A120  A(5,32,27)            110.2922         estimate D2E/DX2                !
 ! A121  A(5,32,78)            108.8387         estimate D2E/DX2                !
 ! A122  A(5,32,79)            113.0692         estimate D2E/DX2                !
 ! A123  A(27,32,78)           109.2146         estimate D2E/DX2                !
 ! A124  A(27,32,79)           108.0094         estimate D2E/DX2                !
 ! A125  A(78,32,79)           107.3194         estimate D2E/DX2                !
 ! A126  A(28,33,35)           119.7009         estimate D2E/DX2                !
 ! A127  A(28,33,80)           120.1181         estimate D2E/DX2                !
 ! A128  A(35,33,80)           120.181          estimate D2E/DX2                !
 ! A129  A(29,34,35)           119.6615         estimate D2E/DX2                !
 ! A130  A(29,34,81)           120.11           estimate D2E/DX2                !
 ! A131  A(35,34,81)           120.2285         estimate D2E/DX2                !
 ! A132  A(33,35,34)           120.6833         estimate D2E/DX2                !
 ! A133  A(33,35,82)           119.6992         estimate D2E/DX2                !
 ! A134  A(34,35,82)           119.6174         estimate D2E/DX2                !
 ! A135  A(30,36,38)           119.6953         estimate D2E/DX2                !
 ! A136  A(30,36,83)           120.1523         estimate D2E/DX2                !
 ! A137  A(38,36,83)           120.1522         estimate D2E/DX2                !
 ! A138  A(31,37,38)           119.6817         estimate D2E/DX2                !
 ! A139  A(31,37,84)           120.1788         estimate D2E/DX2                !
 ! A140  A(38,37,84)           120.1393         estimate D2E/DX2                !
 ! A141  A(36,38,37)           120.6491         estimate D2E/DX2                !
 ! A142  A(36,38,85)           119.662          estimate D2E/DX2                !
 ! A143  A(37,38,85)           119.6888         estimate D2E/DX2                !
 ! A144  A(5,39,40)            119.0034         estimate D2E/DX2                !
 ! A145  A(5,39,41)            121.3314         estimate D2E/DX2                !
 ! A146  A(40,39,41)           119.6502         estimate D2E/DX2                !
 ! A147  A(39,40,42)           119.8792         estimate D2E/DX2                !
 ! A148  A(39,40,44)           120.9044         estimate D2E/DX2                !
 ! A149  A(42,40,44)           119.2159         estimate D2E/DX2                !
 ! A150  A(39,41,43)           119.6443         estimate D2E/DX2                !
 ! A151  A(39,41,45)           121.3742         estimate D2E/DX2                !
 ! A152  A(43,41,45)           118.9793         estimate D2E/DX2                !
 ! A153  A(40,42,46)           120.3342         estimate D2E/DX2                !
 ! A154  A(40,42,86)           120.3721         estimate D2E/DX2                !
 ! A155  A(46,42,86)           119.2937         estimate D2E/DX2                !
 ! A156  A(41,43,46)           120.4494         estimate D2E/DX2                !
 ! A157  A(41,43,87)           120.3247         estimate D2E/DX2                !
 ! A158  A(46,43,87)           119.2252         estimate D2E/DX2                !
 ! A159  A(40,44,88)           111.5391         estimate D2E/DX2                !
 ! A160  A(40,44,89)           110.2834         estimate D2E/DX2                !
 ! A161  A(40,44,90)           110.9365         estimate D2E/DX2                !
 ! A162  A(88,44,89)           107.9916         estimate D2E/DX2                !
 ! A163  A(88,44,90)           107.4492         estimate D2E/DX2                !
 ! A164  A(89,44,90)           108.5176         estimate D2E/DX2                !
 ! A165  A(41,45,91)           111.5309         estimate D2E/DX2                !
 ! A166  A(41,45,92)           111.0422         estimate D2E/DX2                !
 ! A167  A(41,45,93)           110.2444         estimate D2E/DX2                !
 ! A168  A(91,45,92)           107.4029         estimate D2E/DX2                !
 ! A169  A(91,45,93)           107.9799         estimate D2E/DX2                !
 ! A170  A(92,45,93)           108.5144         estimate D2E/DX2                !
 ! A171  A(42,46,43)           120.0089         estimate D2E/DX2                !
 ! A172  A(42,46,94)           119.9786         estimate D2E/DX2                !
 ! A173  A(43,46,94)           120.0095         estimate D2E/DX2                !
 ! D1    D(73,1,13,12)         -53.3212         estimate D2E/DX2                !
 ! D2    D(73,1,13,15)         179.5154         estimate D2E/DX2                !
 ! D3    D(73,1,13,51)          64.0661         estimate D2E/DX2                !
 ! D4    D(39,5,32,27)         135.9562         estimate D2E/DX2                !
 ! D5    D(39,5,32,78)        -104.2487         estimate D2E/DX2                !
 ! D6    D(39,5,32,79)          14.9079         estimate D2E/DX2                !
 ! D7    D(32,5,39,40)        -111.5433         estimate D2E/DX2                !
 ! D8    D(32,5,39,41)          69.8726         estimate D2E/DX2                !
 ! D9    D(18,6,11,14)          46.9249         estimate D2E/DX2                !
 ! D10   D(18,6,11,17)         -77.102          estimate D2E/DX2                !
 ! D11   D(18,6,11,48)         166.2659         estimate D2E/DX2                !
 ! D12   D(21,6,11,14)        -124.2419         estimate D2E/DX2                !
 ! D13   D(21,6,11,17)         111.7312         estimate D2E/DX2                !
 ! D14   D(21,6,11,48)          -4.901          estimate D2E/DX2                !
 ! D15   D(11,6,18,19)         158.0236         estimate D2E/DX2                !
 ! D16   D(11,6,18,57)         -81.3802         estimate D2E/DX2                !
 ! D17   D(11,6,18,58)          35.7108         estimate D2E/DX2                !
 ! D18   D(21,6,18,19)         -31.2025         estimate D2E/DX2                !
 ! D19   D(21,6,18,57)          89.3937         estimate D2E/DX2                !
 ! D20   D(21,6,18,58)        -153.5153         estimate D2E/DX2                !
 ! D21   D(11,6,21,3)           -2.9091         estimate D2E/DX2                !
 ! D22   D(11,6,21,9)         -177.5893         estimate D2E/DX2                !
 ! D23   D(18,6,21,3)         -173.8102         estimate D2E/DX2                !
 ! D24   D(18,6,21,9)           11.5097         estimate D2E/DX2                !
 ! D25   D(17,7,10,12)         -70.4298         estimate D2E/DX2                !
 ! D26   D(17,7,10,16)         161.5798         estimate D2E/DX2                !
 ! D27   D(17,7,10,47)          46.3691         estimate D2E/DX2                !
 ! D28   D(54,7,10,12)         105.8331         estimate D2E/DX2                !
 ! D29   D(54,7,10,16)         -22.1573         estimate D2E/DX2                !
 ! D30   D(54,7,10,47)        -137.368          estimate D2E/DX2                !
 ! D31   D(10,7,17,2)           -3.6897         estimate D2E/DX2                !
 ! D32   D(10,7,17,11)         173.2226         estimate D2E/DX2                !
 ! D33   D(54,7,17,2)         -179.8778         estimate D2E/DX2                !
 ! D34   D(54,7,17,11)          -2.9656         estimate D2E/DX2                !
 ! D35   D(27,8,15,13)        -132.7378         estimate D2E/DX2                !
 ! D36   D(27,8,15,20)         100.0844         estimate D2E/DX2                !
 ! D37   D(27,8,15,53)         -17.1014         estimate D2E/DX2                !
 ! D38   D(71,8,15,13)          47.9467         estimate D2E/DX2                !
 ! D39   D(71,8,15,20)         -79.2311         estimate D2E/DX2                !
 ! D40   D(71,8,15,53)         163.5831         estimate D2E/DX2                !
 ! D41   D(15,8,27,4)            0.5677         estimate D2E/DX2                !
 ! D42   D(15,8,27,32)        -178.2038         estimate D2E/DX2                !
 ! D43   D(71,8,27,4)          179.8699         estimate D2E/DX2                !
 ! D44   D(71,8,27,32)           1.0984         estimate D2E/DX2                !
 ! D45   D(24,9,21,3)          167.6633         estimate D2E/DX2                !
 ! D46   D(24,9,21,6)          -17.2672         estimate D2E/DX2                !
 ! D47   D(72,9,21,3)           -0.6538         estimate D2E/DX2                !
 ! D48   D(72,9,21,6)          174.4157         estimate D2E/DX2                !
 ! D49   D(21,9,24,19)          40.6594         estimate D2E/DX2                !
 ! D50   D(21,9,24,69)         161.8401         estimate D2E/DX2                !
 ! D51   D(21,9,24,70)         -80.2785         estimate D2E/DX2                !
 ! D52   D(72,9,24,19)        -151.0879         estimate D2E/DX2                !
 ! D53   D(72,9,24,69)         -29.9073         estimate D2E/DX2                !
 ! D54   D(72,9,24,70)          87.9741         estimate D2E/DX2                !
 ! D55   D(7,10,12,13)         -62.1874         estimate D2E/DX2                !
 ! D56   D(7,10,12,49)          62.0382         estimate D2E/DX2                !
 ! D57   D(7,10,12,50)         175.1012         estimate D2E/DX2                !
 ! D58   D(16,10,12,13)         65.2175         estimate D2E/DX2                !
 ! D59   D(16,10,12,49)       -170.5568         estimate D2E/DX2                !
 ! D60   D(16,10,12,50)        -57.4938         estimate D2E/DX2                !
 ! D61   D(47,10,12,13)       -179.428          estimate D2E/DX2                !
 ! D62   D(47,10,12,49)        -55.2024         estimate D2E/DX2                !
 ! D63   D(47,10,12,50)         57.8606         estimate D2E/DX2                !
 ! D64   D(7,10,16,25)         -56.8373         estimate D2E/DX2                !
 ! D65   D(7,10,16,55)          65.379          estimate D2E/DX2                !
 ! D66   D(7,10,16,56)        -178.6898         estimate D2E/DX2                !
 ! D67   D(12,10,16,25)        174.897          estimate D2E/DX2                !
 ! D68   D(12,10,16,55)        -62.8866         estimate D2E/DX2                !
 ! D69   D(12,10,16,56)         53.0445         estimate D2E/DX2                !
 ! D70   D(47,10,16,25)         59.1921         estimate D2E/DX2                !
 ! D71   D(47,10,16,55)       -178.5916         estimate D2E/DX2                !
 ! D72   D(47,10,16,56)        -62.6604         estimate D2E/DX2                !
 ! D73   D(6,11,14,22)        -176.269          estimate D2E/DX2                !
 ! D74   D(6,11,14,23)          60.7351         estimate D2E/DX2                !
 ! D75   D(6,11,14,52)         -57.0691         estimate D2E/DX2                !
 ! D76   D(17,11,14,22)        -53.0843         estimate D2E/DX2                !
 ! D77   D(17,11,14,23)       -176.0801         estimate D2E/DX2                !
 ! D78   D(17,11,14,52)         66.1156         estimate D2E/DX2                !
 ! D79   D(48,11,14,22)         61.3531         estimate D2E/DX2                !
 ! D80   D(48,11,14,23)        -61.6427         estimate D2E/DX2                !
 ! D81   D(48,11,14,52)       -179.447          estimate D2E/DX2                !
 ! D82   D(6,11,17,2)           83.1645         estimate D2E/DX2                !
 ! D83   D(6,11,17,7)          -93.8794         estimate D2E/DX2                !
 ! D84   D(14,11,17,2)         -42.8752         estimate D2E/DX2                !
 ! D85   D(14,11,17,7)         140.081          estimate D2E/DX2                !
 ! D86   D(48,11,17,2)        -157.0455         estimate D2E/DX2                !
 ! D87   D(48,11,17,7)          25.9107         estimate D2E/DX2                !
 ! D88   D(10,12,13,1)          63.94           estimate D2E/DX2                !
 ! D89   D(10,12,13,15)       -171.3731         estimate D2E/DX2                !
 ! D90   D(10,12,13,51)        -52.0464         estimate D2E/DX2                !
 ! D91   D(49,12,13,1)         -59.9854         estimate D2E/DX2                !
 ! D92   D(49,12,13,15)         64.7015         estimate D2E/DX2                !
 ! D93   D(49,12,13,51)       -175.9718         estimate D2E/DX2                !
 ! D94   D(50,12,13,1)        -173.6439         estimate D2E/DX2                !
 ! D95   D(50,12,13,15)        -48.957          estimate D2E/DX2                !
 ! D96   D(50,12,13,51)         70.3698         estimate D2E/DX2                !
 ! D97   D(1,13,15,8)          -59.3131         estimate D2E/DX2                !
 ! D98   D(1,13,15,20)          67.2162         estimate D2E/DX2                !
 ! D99   D(1,13,15,53)        -176.3909         estimate D2E/DX2                !
 ! D100  D(12,13,15,8)         175.3875         estimate D2E/DX2                !
 ! D101  D(12,13,15,20)        -58.0832         estimate D2E/DX2                !
 ! D102  D(12,13,15,53)         58.3097         estimate D2E/DX2                !
 ! D103  D(51,13,15,8)          55.416          estimate D2E/DX2                !
 ! D104  D(51,13,15,20)       -178.0547         estimate D2E/DX2                !
 ! D105  D(51,13,15,53)        -61.6618         estimate D2E/DX2                !
 ! D106  D(11,14,22,63)        -54.8734         estimate D2E/DX2                !
 ! D107  D(11,14,22,64)       -174.494          estimate D2E/DX2                !
 ! D108  D(11,14,22,65)         66.2598         estimate D2E/DX2                !
 ! D109  D(23,14,22,63)         69.1918         estimate D2E/DX2                !
 ! D110  D(23,14,22,64)        -50.4289         estimate D2E/DX2                !
 ! D111  D(23,14,22,65)       -169.6751         estimate D2E/DX2                !
 ! D112  D(52,14,22,63)       -175.4446         estimate D2E/DX2                !
 ! D113  D(52,14,22,64)         64.9348         estimate D2E/DX2                !
 ! D114  D(52,14,22,65)        -54.3115         estimate D2E/DX2                !
 ! D115  D(11,14,23,66)         60.041          estimate D2E/DX2                !
 ! D116  D(11,14,23,67)        -60.2918         estimate D2E/DX2                !
 ! D117  D(11,14,23,68)       -179.9615         estimate D2E/DX2                !
 ! D118  D(22,14,23,66)        -65.7707         estimate D2E/DX2                !
 ! D119  D(22,14,23,67)        173.8964         estimate D2E/DX2                !
 ! D120  D(22,14,23,68)         54.2267         estimate D2E/DX2                !
 ! D121  D(52,14,23,66)        179.0983         estimate D2E/DX2                !
 ! D122  D(52,14,23,67)         58.7654         estimate D2E/DX2                !
 ! D123  D(52,14,23,68)        -60.9043         estimate D2E/DX2                !
 ! D124  D(8,15,20,26)         -47.0783         estimate D2E/DX2                !
 ! D125  D(8,15,20,61)          75.9275         estimate D2E/DX2                !
 ! D126  D(8,15,20,62)        -168.6335         estimate D2E/DX2                !
 ! D127  D(13,15,20,26)       -172.642          estimate D2E/DX2                !
 ! D128  D(13,15,20,61)        -49.6362         estimate D2E/DX2                !
 ! D129  D(13,15,20,62)         65.8029         estimate D2E/DX2                !
 ! D130  D(53,15,20,26)         71.2232         estimate D2E/DX2                !
 ! D131  D(53,15,20,61)       -165.771          estimate D2E/DX2                !
 ! D132  D(53,15,20,62)        -50.3319         estimate D2E/DX2                !
 ! D133  D(10,16,25,28)        -86.5377         estimate D2E/DX2                !
 ! D134  D(10,16,25,29)         92.9061         estimate D2E/DX2                !
 ! D135  D(55,16,25,28)        149.9893         estimate D2E/DX2                !
 ! D136  D(55,16,25,29)        -30.5669         estimate D2E/DX2                !
 ! D137  D(56,16,25,28)         36.1516         estimate D2E/DX2                !
 ! D138  D(56,16,25,29)       -144.4045         estimate D2E/DX2                !
 ! D139  D(6,18,19,24)          53.1738         estimate D2E/DX2                !
 ! D140  D(6,18,19,59)         174.2863         estimate D2E/DX2                !
 ! D141  D(6,18,19,60)         -68.2245         estimate D2E/DX2                !
 ! D142  D(57,18,19,24)        -66.5831         estimate D2E/DX2                !
 ! D143  D(57,18,19,59)         54.5294         estimate D2E/DX2                !
 ! D144  D(57,18,19,60)        172.0185         estimate D2E/DX2                !
 ! D145  D(58,18,19,24)        175.6802         estimate D2E/DX2                !
 ! D146  D(58,18,19,59)        -63.2073         estimate D2E/DX2                !
 ! D147  D(58,18,19,60)         54.2818         estimate D2E/DX2                !
 ! D148  D(18,19,24,9)         -55.972          estimate D2E/DX2                !
 ! D149  D(18,19,24,69)       -176.2074         estimate D2E/DX2                !
 ! D150  D(18,19,24,70)         63.5988         estimate D2E/DX2                !
 ! D151  D(59,19,24,9)        -177.0058         estimate D2E/DX2                !
 ! D152  D(59,19,24,69)         62.7588         estimate D2E/DX2                !
 ! D153  D(59,19,24,70)        -57.4349         estimate D2E/DX2                !
 ! D154  D(60,19,24,9)          65.2307         estimate D2E/DX2                !
 ! D155  D(60,19,24,69)        -55.0047         estimate D2E/DX2                !
 ! D156  D(60,19,24,70)       -175.1985         estimate D2E/DX2                !
 ! D157  D(15,20,26,30)        -77.6473         estimate D2E/DX2                !
 ! D158  D(15,20,26,31)        101.5488         estimate D2E/DX2                !
 ! D159  D(61,20,26,30)        158.5893         estimate D2E/DX2                !
 ! D160  D(61,20,26,31)        -22.2146         estimate D2E/DX2                !
 ! D161  D(62,20,26,30)         45.1786         estimate D2E/DX2                !
 ! D162  D(62,20,26,31)       -135.6253         estimate D2E/DX2                !
 ! D163  D(16,25,28,33)        179.4062         estimate D2E/DX2                !
 ! D164  D(16,25,28,74)         -0.4197         estimate D2E/DX2                !
 ! D165  D(29,25,28,33)         -0.0377         estimate D2E/DX2                !
 ! D166  D(29,25,28,74)       -179.8635         estimate D2E/DX2                !
 ! D167  D(16,25,29,34)       -179.3462         estimate D2E/DX2                !
 ! D168  D(16,25,29,75)          0.2766         estimate D2E/DX2                !
 ! D169  D(28,25,29,34)          0.0967         estimate D2E/DX2                !
 ! D170  D(28,25,29,75)        179.7195         estimate D2E/DX2                !
 ! D171  D(20,26,30,36)        178.9787         estimate D2E/DX2                !
 ! D172  D(20,26,30,76)         -0.4143         estimate D2E/DX2                !
 ! D173  D(31,26,30,36)         -0.2169         estimate D2E/DX2                !
 ! D174  D(31,26,30,76)       -179.61           estimate D2E/DX2                !
 ! D175  D(20,26,31,37)       -178.9407         estimate D2E/DX2                !
 ! D176  D(20,26,31,77)          0.6174         estimate D2E/DX2                !
 ! D177  D(30,26,31,37)          0.2535         estimate D2E/DX2                !
 ! D178  D(30,26,31,77)        179.8116         estimate D2E/DX2                !
 ! D179  D(4,27,32,5)          156.5715         estimate D2E/DX2                !
 ! D180  D(4,27,32,78)          37.0038         estimate D2E/DX2                !
 ! D181  D(4,27,32,79)         -79.4072         estimate D2E/DX2                !
 ! D182  D(8,27,32,5)          -24.6048         estimate D2E/DX2                !
 ! D183  D(8,27,32,78)        -144.1725         estimate D2E/DX2                !
 ! D184  D(8,27,32,79)          99.4165         estimate D2E/DX2                !
 ! D185  D(25,28,33,35)         -0.004          estimate D2E/DX2                !
 ! D186  D(25,28,33,80)       -179.956          estimate D2E/DX2                !
 ! D187  D(74,28,33,35)        179.8231         estimate D2E/DX2                !
 ! D188  D(74,28,33,80)         -0.1289         estimate D2E/DX2                !
 ! D189  D(25,29,34,35)         -0.1133         estimate D2E/DX2                !
 ! D190  D(25,29,34,81)        179.8566         estimate D2E/DX2                !
 ! D191  D(75,29,34,35)       -179.7391         estimate D2E/DX2                !
 ! D192  D(75,29,34,81)          0.2308         estimate D2E/DX2                !
 ! D193  D(26,30,36,38)          0.0472         estimate D2E/DX2                !
 ! D194  D(26,30,36,83)       -179.7533         estimate D2E/DX2                !
 ! D195  D(76,30,36,38)        179.4439         estimate D2E/DX2                !
 ! D196  D(76,30,36,83)         -0.3565         estimate D2E/DX2                !
 ! D197  D(26,31,37,38)         -0.1199         estimate D2E/DX2                !
 ! D198  D(26,31,37,84)        179.7412         estimate D2E/DX2                !
 ! D199  D(77,31,37,38)       -179.6827         estimate D2E/DX2                !
 ! D200  D(77,31,37,84)          0.1784         estimate D2E/DX2                !
 ! D201  D(28,33,35,34)         -0.0132         estimate D2E/DX2                !
 ! D202  D(28,33,35,82)       -179.934          estimate D2E/DX2                !
 ! D203  D(80,33,35,34)        179.9388         estimate D2E/DX2                !
 ! D204  D(80,33,35,82)          0.0179         estimate D2E/DX2                !
 ! D205  D(29,34,35,33)          0.072          estimate D2E/DX2                !
 ! D206  D(29,34,35,82)        179.9929         estimate D2E/DX2                !
 ! D207  D(81,34,35,33)       -179.8979         estimate D2E/DX2                !
 ! D208  D(81,34,35,82)          0.0231         estimate D2E/DX2                !
 ! D209  D(30,36,38,37)          0.0867         estimate D2E/DX2                !
 ! D210  D(30,36,38,85)       -179.9177         estimate D2E/DX2                !
 ! D211  D(83,36,38,37)        179.8871         estimate D2E/DX2                !
 ! D212  D(83,36,38,85)         -0.1173         estimate D2E/DX2                !
 ! D213  D(31,37,38,36)         -0.0501         estimate D2E/DX2                !
 ! D214  D(31,37,38,85)        179.9543         estimate D2E/DX2                !
 ! D215  D(84,37,38,36)       -179.9113         estimate D2E/DX2                !
 ! D216  D(84,37,38,85)          0.0931         estimate D2E/DX2                !
 ! D217  D(5,39,40,42)         179.4223         estimate D2E/DX2                !
 ! D218  D(5,39,40,44)          -0.3169         estimate D2E/DX2                !
 ! D219  D(41,39,40,42)         -1.9693         estimate D2E/DX2                !
 ! D220  D(41,39,40,44)        178.2915         estimate D2E/DX2                !
 ! D221  D(5,39,41,43)        -179.3576         estimate D2E/DX2                !
 ! D222  D(5,39,41,45)           1.1874         estimate D2E/DX2                !
 ! D223  D(40,39,41,43)          2.0673         estimate D2E/DX2                !
 ! D224  D(40,39,41,45)       -177.3877         estimate D2E/DX2                !
 ! D225  D(39,40,42,46)          0.6193         estimate D2E/DX2                !
 ! D226  D(39,40,42,86)       -179.3448         estimate D2E/DX2                !
 ! D227  D(44,40,42,46)       -179.637          estimate D2E/DX2                !
 ! D228  D(44,40,42,86)          0.3988         estimate D2E/DX2                !
 ! D229  D(39,40,44,88)       -163.7709         estimate D2E/DX2                !
 ! D230  D(39,40,44,89)         76.2362         estimate D2E/DX2                !
 ! D231  D(39,40,44,90)        -44.0239         estimate D2E/DX2                !
 ! D232  D(42,40,44,88)         16.4882         estimate D2E/DX2                !
 ! D233  D(42,40,44,89)       -103.5047         estimate D2E/DX2                !
 ! D234  D(42,40,44,90)        136.2352         estimate D2E/DX2                !
 ! D235  D(39,41,43,46)         -0.8209         estimate D2E/DX2                !
 ! D236  D(39,41,43,87)        179.4957         estimate D2E/DX2                !
 ! D237  D(45,41,43,46)        178.6472         estimate D2E/DX2                !
 ! D238  D(45,41,43,87)         -1.0362         estimate D2E/DX2                !
 ! D239  D(39,41,45,91)        157.4373         estimate D2E/DX2                !
 ! D240  D(39,41,45,92)         37.6833         estimate D2E/DX2                !
 ! D241  D(39,41,45,93)        -82.6159         estimate D2E/DX2                !
 ! D242  D(43,41,45,91)        -22.0212         estimate D2E/DX2                !
 ! D243  D(43,41,45,92)       -141.7752         estimate D2E/DX2                !
 ! D244  D(43,41,45,93)         97.9256         estimate D2E/DX2                !
 ! D245  D(40,42,46,43)          0.6402         estimate D2E/DX2                !
 ! D246  D(40,42,46,94)       -179.9857         estimate D2E/DX2                !
 ! D247  D(86,42,46,43)       -179.3952         estimate D2E/DX2                !
 ! D248  D(86,42,46,94)         -0.0211         estimate D2E/DX2                !
 ! D249  D(41,43,46,42)         -0.5367         estimate D2E/DX2                !
 ! D250  D(41,43,46,94)       -179.9106         estimate D2E/DX2                !
 ! D251  D(87,43,46,42)        179.1501         estimate D2E/DX2                !
 ! D252  D(87,43,46,94)         -0.2238         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-07
 Number of steps in this run= 532 maximum allowed number of steps= 564.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.280248   -0.138742   -0.025595
      2          8           0       -3.569823    0.018392    2.265512
      3          8           0       -2.116424    2.775441   -1.438155
      4          8           0        3.474121   -3.407782   -0.372386
      5          8           0        3.739322   -0.359570   -2.155402
      6          7           0       -2.389427    2.542886    0.849428
      7          7           0       -3.209561   -0.476922    0.071435
      8          7           0        2.244570   -1.508001   -0.206806
      9          7           0       -0.534303    3.578057   -0.107244
     10          6           0       -2.853839   -1.891357    0.218865
     11          6           0       -3.682615    1.831557    0.677421
     12          6           0       -1.447759   -2.104289    0.854038
     13          6           0       -0.222973   -1.552367    0.073151
     14          6           0       -4.871209    2.474392    1.463416
     15          6           0        1.152720   -1.983726    0.656640
     16          6           0       -3.026454   -2.660605   -1.114254
     17          6           0       -3.501120    0.355710    1.082865
     18          6           0       -1.948516    2.934583    2.216985
     19          6           0       -0.429552    3.140813    2.261915
     20          6           0        1.351898   -1.557512    2.141276
     21          6           0       -1.736500    2.976129   -0.283939
     22          6           0       -6.191679    1.680123    1.354739
     23          6           0       -5.120132    3.919300    0.992685
     24          6           0       -0.036542    4.124187    1.159202
     25          6           0       -4.432095   -2.573425   -1.700473
     26          6           0        2.750194   -1.803348    2.699861
     27          6           0        3.298872   -2.220647   -0.646269
     28          6           0       -5.412603   -3.484900   -1.297643
     29          6           0       -4.742674   -1.575958   -2.630786
     30          6           0        3.130412   -3.092834    3.080565
     31          6           0        3.654795   -0.742837    2.814617
     32          6           0        4.337590   -1.488608   -1.508894
     33          6           0       -6.699702   -3.398619   -1.822888
     34          6           0       -6.029973   -1.489822   -3.154316
     35          6           0       -7.002189   -2.402241   -2.748268
     36          6           0        4.412476   -3.322952    3.570360
     37          6           0        4.937016   -0.973715    3.303783
     38          6           0        5.310696   -2.262730    3.679100
     39          6           0        4.476517    0.804475   -2.139494
     40          6           0        4.017889    1.890518   -1.376402
     41          6           0        5.658714    0.932943   -2.893931
     42          6           0        4.757213    3.075406   -1.337492
     43          6           0        6.386254    2.124996   -2.841208
     44          6           0        2.723939    1.796024   -0.581371
     45          6           0        6.159566   -0.197669   -3.780100
     46          6           0        5.940691    3.189947   -2.062039
     47          1           0       -3.573957   -2.332919    0.911495
     48          1           0       -3.990670    1.822732   -0.368273
     49          1           0       -1.452679   -1.679630    1.858650
     50          1           0       -1.307030   -3.175754    1.004739
     51          1           0       -0.270960   -1.928125   -0.949834
     52          1           0       -4.617523    2.520566    2.523423
     53          1           0        1.156263   -3.076761    0.644895
     54          1           0       -3.175400   -0.102452   -0.865960
     55          1           0       -2.320132   -2.295732   -1.862196
     56          1           0       -2.777900   -3.712836   -0.970959
     57          1           0       -2.455269    3.859796    2.490218
     58          1           0       -2.245706    2.179424    2.943532
     59          1           0       -0.129235    3.524015    3.237334
     60          1           0        0.086268    2.187314    2.128510
     61          1           0        1.109151   -0.500809    2.262677
     62          1           0        0.644387   -2.088874    2.778814
     63          1           0       -6.471130    1.521426    0.313167
     64          1           0       -7.010903    2.216028    1.836436
     65          1           0       -6.134659    0.704540    1.837406
     66          1           0       -5.365047    3.950471   -0.069702
     67          1           0       -4.247443    4.552787    1.148833
     68          1           0       -5.947415    4.374052    1.537185
     69          1           0        1.044773    4.252233    1.108087
     70          1           0       -0.477960    5.107562    1.325952
     71          1           0        2.187308   -0.537670   -0.482878
     72          1           0       -0.021377    3.814662   -0.943922
     73          1           0       -1.132040    0.106388   -0.394028
     74          1           0       -5.179329   -4.256159   -0.577759
     75          1           0       -3.990548   -0.865455   -2.942983
     76          1           0        2.436389   -3.916243    2.987553
     77          1           0        3.369813    0.256369    2.519709
     78          1           0        4.716270   -2.170655   -2.270599
     79          1           0        5.179192   -1.218100   -0.867236
     80          1           0       -7.459543   -4.100749   -1.513217
     81          1           0       -6.272899   -0.719482   -3.870735
     82          1           0       -7.999934   -2.334740   -3.154491
     83          1           0        4.711181   -4.319138    3.861871
     84          1           0        5.639909   -0.158719    3.390120
     85          1           0        6.306238   -2.442213    4.058136
     86          1           0        4.417396    3.911821   -0.744910
     87          1           0        7.298667    2.232511   -3.408927
     88          1           0        2.364230    2.780544   -0.284270
     89          1           0        2.878064    1.207051    0.322551
     90          1           0        1.937489    1.325022   -1.171668
     91          1           0        6.818609    0.172032   -4.566387
     92          1           0        5.329350   -0.711948   -4.265397
     93          1           0        6.717037   -0.923049   -3.187168
     94          1           0        6.508200    4.109149   -2.027602
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0856940      0.0399858      0.0369726
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3242.6482744791 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Simple Huckel Guess.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 The electronic state of the initial guess is 1-A.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.172086479045     A.U. after   15 cycles
             Convg  =    0.9512D-08             -V/T =  0.9997

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.52093  -1.50530  -1.48822  -1.46934  -1.45457
 Alpha  occ. eigenvalues --   -1.44175  -1.42432  -1.38972  -1.36995  -1.35559
 Alpha  occ. eigenvalues --   -1.33325  -1.30930  -1.26254  -1.25966  -1.23315
 Alpha  occ. eigenvalues --   -1.21875  -1.18586  -1.17956  -1.17701  -1.16713
 Alpha  occ. eigenvalues --   -1.15742  -1.11772  -1.07339  -1.04657  -1.03193
 Alpha  occ. eigenvalues --   -1.02620  -1.01684  -1.00787  -0.97273  -0.95787
 Alpha  occ. eigenvalues --   -0.89413  -0.87253  -0.86534  -0.85406  -0.83895
 Alpha  occ. eigenvalues --   -0.83002  -0.81981  -0.81060  -0.80031  -0.78137
 Alpha  occ. eigenvalues --   -0.77074  -0.76764  -0.73015  -0.69362  -0.68750
 Alpha  occ. eigenvalues --   -0.68109  -0.67185  -0.66302  -0.65263  -0.64772
 Alpha  occ. eigenvalues --   -0.64548  -0.63644  -0.63107  -0.61988  -0.60845
 Alpha  occ. eigenvalues --   -0.60626  -0.60227  -0.59881  -0.59079  -0.58696
 Alpha  occ. eigenvalues --   -0.58538  -0.58304  -0.57576  -0.57432  -0.56764
 Alpha  occ. eigenvalues --   -0.56292  -0.56186  -0.55663  -0.55107  -0.54788
 Alpha  occ. eigenvalues --   -0.54069  -0.53822  -0.53193  -0.53139  -0.52919
 Alpha  occ. eigenvalues --   -0.52507  -0.52369  -0.52006  -0.51648  -0.51467
 Alpha  occ. eigenvalues --   -0.51389  -0.50850  -0.50615  -0.50234  -0.49990
 Alpha  occ. eigenvalues --   -0.49533  -0.49072  -0.48847  -0.48337  -0.48249
 Alpha  occ. eigenvalues --   -0.47868  -0.47567  -0.47487  -0.46278  -0.46205
 Alpha  occ. eigenvalues --   -0.45960  -0.45905  -0.45837  -0.45629  -0.45441
 Alpha  occ. eigenvalues --   -0.44805  -0.44619  -0.44615  -0.44227  -0.44014
 Alpha  occ. eigenvalues --   -0.43153  -0.42770  -0.42594  -0.41780  -0.40813
 Alpha  occ. eigenvalues --   -0.40340  -0.40204  -0.38685  -0.37578  -0.37257
 Alpha  occ. eigenvalues --   -0.36546  -0.36197  -0.35599  -0.35254  -0.35170
 Alpha  occ. eigenvalues --   -0.35117  -0.34567  -0.34199
 Alpha virt. eigenvalues --    0.00486   0.00947   0.01021   0.01396   0.02107
 Alpha virt. eigenvalues --    0.02475   0.03664   0.06233   0.06535   0.06760
 Alpha virt. eigenvalues --    0.07400   0.07579   0.08436   0.09254   0.09831
 Alpha virt. eigenvalues --    0.10112   0.10800   0.11334   0.11764   0.12177
 Alpha virt. eigenvalues --    0.12347   0.12544   0.12701   0.12930   0.13026
 Alpha virt. eigenvalues --    0.13165   0.13526   0.13655   0.13741   0.13854
 Alpha virt. eigenvalues --    0.14142   0.14221   0.14243   0.14365   0.14465
 Alpha virt. eigenvalues --    0.14589   0.14670   0.14689   0.14884   0.14972
 Alpha virt. eigenvalues --    0.15120   0.15139   0.15305   0.15331   0.15398
 Alpha virt. eigenvalues --    0.15407   0.15523   0.15574   0.15687   0.15789
 Alpha virt. eigenvalues --    0.15848   0.15978   0.16088   0.16170   0.16239
 Alpha virt. eigenvalues --    0.16353   0.16438   0.16472   0.16596   0.16648
 Alpha virt. eigenvalues --    0.16688   0.16731   0.16764   0.16848   0.17195
 Alpha virt. eigenvalues --    0.17252   0.17287   0.17446   0.17590   0.17657
 Alpha virt. eigenvalues --    0.17741   0.17838   0.17882   0.18093   0.18336
 Alpha virt. eigenvalues --    0.18363   0.18430   0.18515   0.18546   0.18763
 Alpha virt. eigenvalues --    0.18962   0.19046   0.19330   0.19390   0.19396
 Alpha virt. eigenvalues --    0.19496   0.19659   0.19772   0.19862   0.19944
 Alpha virt. eigenvalues --    0.20187   0.20221   0.20278   0.20387   0.20764
 Alpha virt. eigenvalues --    0.20963   0.21064   0.21251   0.21505   0.21898
 Alpha virt. eigenvalues --    0.22729   0.22955   0.23197   0.23314   0.24067
 Alpha virt. eigenvalues --    0.24256   0.26162   0.27062   0.27398
          Condensed to atoms (all electrons):
 Mulliken atomic charges:
              1
     1  O   -0.342325
     2  O   -0.372047
     3  O   -0.430076
     4  O   -0.377140
     5  O   -0.227795
     6  N   -0.352823
     7  N   -0.379767
     8  N   -0.370263
     9  N   -0.403128
    10  C    0.044797
    11  C    0.026711
    12  C   -0.210330
    13  C    0.029748
    14  C   -0.104142
    15  C    0.061574
    16  C   -0.135279
    17  C    0.302398
    18  C    0.002520
    19  C   -0.188269
    20  C   -0.133045
    21  C    0.423032
    22  C   -0.207318
    23  C   -0.209474
    24  C   -0.006637
    25  C   -0.079974
    26  C   -0.071884
    27  C    0.307309
    28  C   -0.120013
    29  C   -0.126635
    30  C   -0.108149
    31  C   -0.126101
    32  C   -0.039924
    33  C   -0.124189
    34  C   -0.123438
    35  C   -0.128158
    36  C   -0.121101
    37  C   -0.132893
    38  C   -0.130880
    39  C    0.052198
    40  C   -0.076610
    41  C   -0.086335
    42  C   -0.125968
    43  C   -0.122353
    44  C   -0.174773
    45  C   -0.174344
    46  C   -0.128936
    47  H    0.111395
    48  H    0.126245
    49  H    0.114011
    50  H    0.092844
    51  H    0.072952
    52  H    0.099768
    53  H    0.115046
    54  H    0.236610
    55  H    0.089492
    56  H    0.102132
    57  H    0.072045
    58  H    0.117529
    59  H    0.097389
    60  H    0.112106
    61  H    0.094221
    62  H    0.092051
    63  H    0.070998
    64  H    0.078200
    65  H    0.088753
    66  H    0.078482
    67  H    0.072132
    68  H    0.075263
    69  H    0.090302
    70  H    0.073681
    71  H    0.247962
    72  H    0.243753
    73  H    0.216954
    74  H    0.131462
    75  H    0.130598
    76  H    0.132412
    77  H    0.125225
    78  H    0.113141
    79  H    0.107625
    80  H    0.132667
    81  H    0.134015
    82  H    0.129531
    83  H    0.131510
    84  H    0.127406
    85  H    0.126099
    86  H    0.131016
    87  H    0.134229
    88  H    0.074741
    89  H    0.084552
    90  H    0.104309
    91  H    0.082920
    92  H    0.093033
    93  H    0.081182
    94  H    0.132236
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  O   -0.125371
     2  O   -0.372047
     3  O   -0.430076
     4  O   -0.377140
     5  O   -0.227795
     6  N   -0.352823
     7  N   -0.143157
     8  N   -0.122301
     9  N   -0.159376
    10  C    0.156192
    11  C    0.152956
    12  C   -0.003475
    13  C    0.102700
    14  C   -0.004373
    15  C    0.176620
    16  C    0.056345
    17  C    0.302398
    18  C    0.192093
    19  C    0.021226
    20  C    0.053227
    21  C    0.423032
    22  C    0.030634
    23  C    0.016404
    24  C    0.157346
    25  C   -0.079974
    26  C   -0.071884
    27  C    0.307309
    28  C    0.011449
    29  C    0.003964
    30  C    0.024263
    31  C   -0.000875
    32  C    0.180842
    33  C    0.008478
    34  C    0.010576
    35  C    0.001373
    36  C    0.010409
    37  C   -0.005487
    38  C   -0.004780
    39  C    0.052198
    40  C   -0.076610
    41  C   -0.086335
    42  C    0.005048
    43  C    0.011876
    44  C    0.088830
    45  C    0.082791
    46  C    0.003300
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0225    Y=              3.1890    Z=              0.7909  Tot=              3.2857
 N-N= 3.242648274479D+03 E-N=-5.798618065823D+03  KE=-5.104911149049D+02
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.009915177   -0.016504913    0.009331015
      2        8          -0.023442654   -0.023762101    0.009752166
      3        8          -0.003623522    0.046570417   -0.041306617
      4        8          -0.017457390   -0.022042396   -0.025467520
      5        8          -0.008983998    0.010375338   -0.009393368
      6        7          -0.068882804   -0.003174318    0.017668541
      7        7           0.007244114    0.001776882   -0.060925738
      8        7          -0.028553825    0.026151378    0.039295798
      9        7           0.073676774   -0.028423297    0.024649886
     10        6           0.028782293    0.009892383    0.001266514
     11        6           0.005545863   -0.015469252    0.041251468
     12        6           0.022067701    0.013668018   -0.009690290
     13        6          -0.020624032    0.006951888    0.019533132
     14        6           0.001479915    0.023918293   -0.005772841
     15        6           0.026895427   -0.006750538    0.018201925
     16        6          -0.011993981    0.026875696    0.014322890
     17        6           0.008787525    0.005666306    0.030566992
     18        6           0.023566929    0.021967364   -0.041255020
     19        6          -0.001434108    0.015722255    0.008329107
     20        6           0.022831402   -0.019015729   -0.013289425
     21        6          -0.010873587   -0.026328920    0.021033745
     22        6           0.030560795   -0.011863279    0.002127378
     23        6          -0.011952279   -0.016533468   -0.020151288
     24        6          -0.028445115    0.017588727   -0.041253512
     25        6           0.010722581   -0.024988023    0.008256232
     26        6          -0.007693052    0.029305908   -0.004950987
     27        6           0.022530906    0.007383102    0.001203563
     28        6           0.008350474    0.007660198    0.002145743
     29        6          -0.011046460   -0.003569891   -0.001915067
     30        6           0.007628408    0.000198874    0.006987660
     31        6          -0.007581235   -0.005253044   -0.007386837
     32        6          -0.006953668    0.006230587    0.011002979
     33        6           0.012596029   -0.000360004    0.002257765
     34        6          -0.007301636   -0.010728863   -0.002687233
     35        6           0.003665872   -0.006122099    0.000467660
     36        6           0.005965867    0.007152539    0.008109521
     37        6          -0.010578606    0.000570216   -0.006800014
     38        6          -0.002987353    0.005923946    0.000500297
     39        6           0.015700616   -0.011823563    0.006368543
     40        6          -0.029071204    0.007157971    0.016530696
     41        6           0.003976039   -0.003153245   -0.030335484
     42        6           0.000289827   -0.000517735   -0.014165632
     43        6          -0.013039888    0.003876141    0.003559487
     44        6           0.039080998   -0.008388919   -0.016944156
     45        6          -0.005222090    0.005969129    0.040412229
     46        6          -0.009467130    0.000919941   -0.006743391
     47        1          -0.025456206   -0.004975944    0.008180419
     48        1           0.016622197    0.024296411   -0.009220375
     49        1          -0.001480164   -0.005018556    0.022832854
     50        1          -0.008529108   -0.008032072   -0.018504675
     51        1           0.001588686    0.011307523   -0.027111902
     52        1          -0.005116931   -0.019729856    0.010902988
     53        1          -0.010578061   -0.009696769   -0.020697011
     54        1          -0.008305824   -0.006637939    0.000446188
     55        1           0.022019171    0.003265857   -0.002454014
     56        1          -0.012044004   -0.015725475   -0.010069306
     57        1           0.001861300    0.013470024    0.022038491
     58        1          -0.021606280   -0.010442080   -0.008561624
     59        1          -0.001341754   -0.009401561    0.018276044
     60        1          -0.001211626   -0.010635062   -0.018258375
     61        1           0.010544206    0.012461498    0.015828611
     62        1          -0.022433754   -0.000492720   -0.004438084
     63        1           0.006855262    0.013332313   -0.012910654
     64        1          -0.004514831    0.006677243    0.017968394
     65        1          -0.007130164   -0.017735880   -0.008317095
     66        1           0.004185079    0.013528549   -0.013257224
     67        1           0.015168720   -0.011442994    0.006092033
     68        1          -0.014699155    0.004672016    0.013029776
     69        1           0.017398103   -0.013965200   -0.005919073
     70        1           0.000349804    0.011984194    0.021322265
     71        1          -0.010154273   -0.004202682   -0.005870361
     72        1          -0.009757987   -0.002746230    0.006131641
     73        1           0.001667268    0.001051886   -0.001193080
     74        1          -0.006419831   -0.012307409   -0.002054882
     75        1           0.013887261   -0.001290921    0.002326914
     76        1          -0.011109768    0.003811023   -0.007197401
     77        1           0.004978962    0.011029069    0.007844557
     78        1           0.003961854    0.004631363   -0.022449774
     79        1           0.008596432   -0.014465434    0.012441067
     80        1          -0.013898234    0.000662179   -0.002900816
     81        1           0.007421950    0.012175990    0.002258074
     82        1          -0.007084604    0.013551065   -0.000681919
     83        1          -0.005633350   -0.009853529   -0.008217088
     84        1           0.011695715   -0.002917894    0.007475320
     85        1           0.006089287   -0.013060337   -0.000827272
     86        1          -0.002694404    0.002735430    0.013942799
     87        1           0.012357110   -0.002997964   -0.007292213
     88        1           0.005747366    0.007326731    0.018375489
     89        1          -0.008921825   -0.018912207    0.002077012
     90        1          -0.007807814    0.014199469   -0.013405558
     91        1           0.019208992    0.003618217   -0.001536364
     92        1          -0.014103761    0.012564951   -0.006741689
     93        1          -0.005891834   -0.019211794   -0.002404611
     94        1           0.011068906   -0.001154392    0.008002991
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.073676774 RMS     0.016192451

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Internal  Forces:  Max     0.061370180 RMS     0.009790605
 Search for a local minimum.
 Step number   1 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00238   0.00291
     Eigenvalues ---    0.00426   0.00429   0.00480   0.00484   0.00555
     Eigenvalues ---    0.00634   0.00752   0.00820   0.00838   0.00945
     Eigenvalues ---    0.01175   0.01181   0.01268   0.01395   0.01405
     Eigenvalues ---    0.01428   0.01442   0.01446   0.01451   0.01460
     Eigenvalues ---    0.01497   0.01612   0.01984   0.02003   0.02033
     Eigenvalues ---    0.02105   0.02118   0.02124   0.02134   0.02144
     Eigenvalues ---    0.02150   0.02151   0.02151   0.02157   0.02161
     Eigenvalues ---    0.02168   0.02172   0.02172   0.02176   0.02176
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02182   0.02187
     Eigenvalues ---    0.02187   0.02188   0.02402   0.02457   0.02963
     Eigenvalues ---    0.03361   0.03411   0.03411   0.03535   0.03673
     Eigenvalues ---    0.03675   0.03783   0.03837   0.04086   0.04438
     Eigenvalues ---    0.04612   0.04647   0.04711   0.04781   0.04860
     Eigenvalues ---    0.05063   0.05099   0.05112   0.05176   0.05189
     Eigenvalues ---    0.05233   0.05332   0.05395   0.05411   0.05740
     Eigenvalues ---    0.05899   0.05900   0.06074   0.06201   0.06422
     Eigenvalues ---    0.07043   0.07046   0.07130   0.07130   0.07371
     Eigenvalues ---    0.07592   0.07677   0.07697   0.08783   0.09094
     Eigenvalues ---    0.09097   0.09604   0.09766   0.10281   0.11343
     Eigenvalues ---    0.11907   0.12752   0.12978   0.13089   0.13959
     Eigenvalues ---    0.15704   0.15980   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16403
     Eigenvalues ---    0.17252   0.17386   0.17454   0.17500   0.17746
     Eigenvalues ---    0.18433   0.18535   0.18617   0.18799   0.18905
     Eigenvalues ---    0.20217   0.21912   0.21930   0.21943   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22000   0.22005
     Eigenvalues ---    0.22042   0.22084   0.23462   0.23482   0.23482
     Eigenvalues ---    0.23893   0.24660   0.24903   0.24905   0.24968
     Eigenvalues ---    0.24992   0.24995   0.24998   0.24999   0.24999
     Eigenvalues ---    0.25000   0.25000   0.25000   0.25000   0.26554
     Eigenvalues ---    0.27022   0.27032   0.27203   0.27325   0.27754
     Eigenvalues ---    0.28101   0.28219   0.28409   0.28527   0.28742
     Eigenvalues ---    0.28887   0.29826   0.29845   0.30212   0.30239
     Eigenvalues ---    0.32381   0.33902   0.34456   0.34540   0.34544
     Eigenvalues ---    0.34553   0.34636   0.34683   0.34693   0.34697
     Eigenvalues ---    0.34707   0.34712   0.34729   0.34732   0.34733
     Eigenvalues ---    0.34738   0.34745   0.34751   0.34751   0.34776
     Eigenvalues ---    0.34777   0.34790   0.34793   0.34794   0.34805
     Eigenvalues ---    0.34810   0.34819   0.34833   0.34835   0.34846
     Eigenvalues ---    0.34856   0.34874   0.34900   0.35416   0.35615
     Eigenvalues ---    0.35887   0.35895   0.35906   0.35933   0.35962
     Eigenvalues ---    0.35983   0.35984   0.35996   0.36003   0.36004
     Eigenvalues ---    0.36032   0.36034   0.36069   0.36234   0.40703
     Eigenvalues ---    0.41502   0.41921   0.42114   0.42130   0.42303
     Eigenvalues ---    0.42402   0.42729   0.44945   0.45895   0.45972
     Eigenvalues ---    0.46008   0.46055   0.46064   0.46064   0.46133
     Eigenvalues ---    0.46338   0.46371   0.46744   0.46761   0.46763
     Eigenvalues ---    0.46875   0.47038   0.47703   0.49481   0.51991
     Eigenvalues ---    0.55498   0.55814   0.56734   0.90369   0.90424
     Eigenvalues ---    0.907291000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-1.10176801D-01 EMin= 2.30000000D-03
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.560
 Iteration  1 RMS(Cart)=  0.21228678 RMS(Int)=  0.00331301
 Iteration  2 RMS(Cart)=  0.02775543 RMS(Int)=  0.00009333
 Iteration  3 RMS(Cart)=  0.00020572 RMS(Int)=  0.00007419
 Iteration  4 RMS(Cart)=  0.00000002 RMS(Int)=  0.00007419
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68006   0.00500   0.00000   0.00521   0.00521   2.68527
    R2        1.81392   0.00033   0.00000   0.00028   0.00028   1.81420
    R3        2.32763   0.03446   0.00000   0.01904   0.01904   2.34667
    R4        2.32738   0.06137   0.00000   0.03389   0.03389   2.36128
    R5        2.32599   0.03783   0.00000   0.02083   0.02083   2.34682
    R6        2.70609   0.00307   0.00000   0.00332   0.00332   2.70941
    R7        2.60392   0.01509   0.00000   0.01397   0.01397   2.61790
    R8        2.80795  -0.04078   0.00000  -0.05086  -0.05086   2.75709
    R9        2.81439  -0.03652   0.00000  -0.04634  -0.04639   2.76800
   R10        2.60380   0.03125   0.00000   0.03033   0.03028   2.63408
   R11        2.77017  -0.01866   0.00000  -0.02213  -0.02213   2.74805
   R12        2.53623   0.04567   0.00000   0.03777   0.03777   2.57400
   R13        1.90863  -0.01013   0.00000  -0.00996  -0.00996   1.89867
   R14        2.77988  -0.02762   0.00000  -0.03318  -0.03318   2.74670
   R15        2.54415   0.03064   0.00000   0.02569   0.02569   2.56984
   R16        1.90950  -0.01172   0.00000  -0.01154  -0.01154   1.89796
   R17        2.56252   0.05079   0.00000   0.04566   0.04566   2.60818
   R18        2.77082  -0.02265   0.00000  -0.02631  -0.02625   2.74457
   R19        1.90769  -0.01178   0.00000  -0.01156  -0.01156   1.89613
   R20        2.94327  -0.01333   0.00000  -0.01963  -0.01963   2.92364
   R21        2.92679  -0.01258   0.00000  -0.01818  -0.01818   2.90860
   R22        2.06429   0.02695   0.00000   0.03314   0.03314   2.09743
   R23        2.95413  -0.02139   0.00000  -0.03189  -0.03189   2.92224
   R24        2.91254   0.01595   0.00000   0.02267   0.02267   2.93521
   R25        2.06011   0.02828   0.00000   0.03458   0.03458   2.09469
   R26        2.93638  -0.01634   0.00000  -0.02387  -0.02387   2.91251
   R27        2.06110   0.02249   0.00000   0.02754   0.02754   2.08864
   R28        2.06193   0.02115   0.00000   0.02592   0.02592   2.08785
   R29        2.93915  -0.01177   0.00000  -0.01726  -0.01726   2.92190
   R30        2.06144   0.02879   0.00000   0.03527   0.03527   2.09672
   R31        2.91919  -0.02573   0.00000  -0.03685  -0.03685   2.88235
   R32        2.91000  -0.01803   0.00000  -0.02554  -0.02554   2.88446
   R33        2.06154   0.02278   0.00000   0.02791   0.02791   2.08944
   R34        2.94305  -0.01693   0.00000  -0.02493  -0.02493   2.91812
   R35        2.06567   0.02503   0.00000   0.03083   0.03083   2.09650
   R36        2.88273  -0.02785   0.00000  -0.03819  -0.03819   2.84455
   R37        2.06269   0.02206   0.00000   0.02707   0.02707   2.08976
   R38        2.06102   0.02127   0.00000   0.02605   0.02605   2.08706
   R39        2.89800   0.00295   0.00000   0.00117   0.00118   2.89919
   R40        2.05926   0.02579   0.00000   0.03151   0.03151   2.09077
   R41        2.05838   0.02444   0.00000   0.02982   0.02982   2.08819
   R42        2.88916   0.00744   0.00000   0.00866   0.00870   2.89786
   R43        2.06013   0.02021   0.00000   0.02472   0.02472   2.08485
   R44        2.06407   0.02109   0.00000   0.02592   0.02592   2.08999
   R45        2.88311  -0.02815   0.00000  -0.03861  -0.03861   2.84450
   R46        2.06170   0.02207   0.00000   0.02705   0.02705   2.08874
   R47        2.06090   0.02179   0.00000   0.02668   0.02668   2.08758
   R48        2.05984   0.01947   0.00000   0.02380   0.02380   2.08364
   R49        2.06175   0.01880   0.00000   0.02304   0.02304   2.08479
   R50        2.05970   0.01956   0.00000   0.02390   0.02390   2.08360
   R51        2.06112   0.01911   0.00000   0.02341   0.02341   2.08453
   R52        2.05909   0.01956   0.00000   0.02388   0.02388   2.08297
   R53        2.05943   0.01961   0.00000   0.02396   0.02396   2.08339
   R54        2.05993   0.02276   0.00000   0.02783   0.02783   2.08776
   R55        2.06117   0.02432   0.00000   0.02979   0.02979   2.09096
   R56        2.64187  -0.00044   0.00000  -0.00060  -0.00060   2.64127
   R57        2.64351  -0.00076   0.00000  -0.00092  -0.00092   2.64259
   R58        2.64040   0.00110   0.00000   0.00095   0.00095   2.64135
   R59        2.64302  -0.00077   0.00000  -0.00090  -0.00091   2.64212
   R60        2.90240   0.00756   0.00000   0.01062   0.01062   2.91302
   R61        2.63205   0.00502   0.00000   0.00486   0.00486   2.63691
   R62        2.04186   0.01399   0.00000   0.01669   0.01669   2.05855
   R63        2.63116   0.00530   0.00000   0.00512   0.00512   2.63628
   R64        2.04228   0.01411   0.00000   0.01684   0.01684   2.05912
   R65        2.62974   0.00642   0.00000   0.00621   0.00621   2.63595
   R66        2.04259   0.01373   0.00000   0.01640   0.01640   2.05899
   R67        2.62983   0.00653   0.00000   0.00628   0.00628   2.63611
   R68        2.04108   0.01435   0.00000   0.01710   0.01710   2.05818
   R69        2.06039   0.02258   0.00000   0.02762   0.02762   2.08801
   R70        2.06421   0.02055   0.00000   0.02527   0.02527   2.08948
   R71        2.63249   0.00385   0.00000   0.00390   0.00390   2.63638
   R72        2.04076   0.01421   0.00000   0.01693   0.01693   2.05770
   R73        2.63384   0.00345   0.00000   0.00352   0.00352   2.63736
   R74        2.04029   0.01444   0.00000   0.01719   0.01719   2.05748
   R75        2.03974   0.01531   0.00000   0.01821   0.01821   2.05795
   R76        2.63391   0.00326   0.00000   0.00331   0.00331   2.63723
   R77        2.04107   0.01401   0.00000   0.01670   0.01670   2.05777
   R78        2.63348   0.00340   0.00000   0.00342   0.00342   2.63690
   R79        2.04032   0.01418   0.00000   0.01689   0.01689   2.05721
   R80        2.04142   0.01443   0.00000   0.01721   0.01721   2.05863
   R81        2.65380   0.00564   0.00000   0.00565   0.00566   2.65946
   R82        2.66127  -0.00318   0.00000  -0.00334  -0.00334   2.65794
   R83        2.64026  -0.00041   0.00000  -0.00028  -0.00028   2.63998
   R84        2.87543  -0.03018   0.00000  -0.04101  -0.04101   2.83443
   R85        2.64095  -0.00251   0.00000  -0.00258  -0.00258   2.63836
   R86        2.87489  -0.03033   0.00000  -0.04119  -0.04119   2.83370
   R87        2.63121   0.00332   0.00000   0.00333   0.00333   2.63453
   R88        2.04075   0.01435   0.00000   0.01710   0.01710   2.05785
   R89        2.63192   0.00262   0.00000   0.00253   0.00253   2.63445
   R90        2.04087   0.01455   0.00000   0.01733   0.01733   2.05821
   R91        2.05879   0.02030   0.00000   0.02478   0.02478   2.08357
   R92        2.05947   0.02076   0.00000   0.02537   0.02537   2.08484
   R93        2.06041   0.02079   0.00000   0.02543   0.02543   2.08584
   R94        2.06081   0.01915   0.00000   0.02344   0.02344   2.08425
   R95        2.06080   0.01960   0.00000   0.02399   0.02399   2.08479
   R96        2.06016   0.02004   0.00000   0.02451   0.02451   2.08467
   R97        2.04247   0.01370   0.00000   0.01636   0.01636   2.05883
    A1        1.89347   0.00074   0.00000   0.00153   0.00153   1.89500
    A2        2.02341  -0.01529   0.00000  -0.02378  -0.02378   1.99963
    A3        2.08272  -0.00435   0.00000  -0.00786  -0.00780   2.07492
    A4        2.05750   0.00733   0.00000   0.01025   0.01029   2.06779
    A5        2.13213  -0.00303   0.00000  -0.00249  -0.00259   2.12954
    A6        2.18404  -0.00853   0.00000  -0.01440  -0.01441   2.16963
    A7        2.02960   0.00191   0.00000   0.00243   0.00242   2.03202
    A8        2.06777   0.00672   0.00000   0.01244   0.01243   2.08019
    A9        2.21637  -0.01175   0.00000  -0.01993  -0.01994   2.19643
   A10        2.01402   0.00228   0.00000   0.00253   0.00252   2.01654
   A11        2.05274   0.00949   0.00000   0.01747   0.01747   2.07021
   A12        2.18811  -0.01827   0.00000  -0.02738  -0.02737   2.16074
   A13        2.03364   0.00986   0.00000   0.01538   0.01537   2.04902
   A14        2.04437   0.00856   0.00000   0.01291   0.01291   2.05728
   A15        1.97360   0.01219   0.00000   0.02351   0.02353   1.99712
   A16        1.94510  -0.00021   0.00000  -0.00024  -0.00012   1.94498
   A17        1.86903  -0.00487   0.00000  -0.00951  -0.00951   1.85951
   A18        1.96464  -0.01233   0.00000  -0.02295  -0.02294   1.94170
   A19        1.85593  -0.00132   0.00000  -0.00464  -0.00457   1.85136
   A20        1.84577   0.00645   0.00000   0.01356   0.01350   1.85927
   A21        1.98959   0.00311   0.00000   0.00253   0.00249   1.99208
   A22        1.90230  -0.00086   0.00000  -0.00390  -0.00392   1.89838
   A23        1.93997  -0.00530   0.00000  -0.01418  -0.01416   1.92580
   A24        1.92947  -0.00549   0.00000  -0.01062  -0.01063   1.91885
   A25        1.84498   0.00154   0.00000   0.00542   0.00544   1.85042
   A26        1.85236   0.00732   0.00000   0.02231   0.02234   1.87470
   A27        2.04663   0.01076   0.00000   0.01726   0.01726   2.06389
   A28        1.89476  -0.00254   0.00000  -0.00144  -0.00150   1.89326
   A29        1.88285  -0.00591   0.00000  -0.01447  -0.01440   1.86844
   A30        1.90514  -0.00257   0.00000  -0.00142  -0.00148   1.90365
   A31        1.89288  -0.00503   0.00000  -0.01229  -0.01222   1.88066
   A32        1.82937   0.00479   0.00000   0.01199   0.01199   1.84136
   A33        1.93606   0.02001   0.00000   0.03669   0.03594   1.97200
   A34        1.91589  -0.01206   0.00000  -0.02830  -0.02790   1.88798
   A35        1.85071   0.00207   0.00000   0.01570   0.01543   1.86614
   A36        1.99340  -0.01611   0.00000  -0.03377  -0.03363   1.95977
   A37        1.89046  -0.00015   0.00000   0.00223   0.00186   1.89232
   A38        1.87044   0.00730   0.00000   0.01079   0.01088   1.88133
   A39        1.98573  -0.00875   0.00000  -0.02076  -0.02075   1.96498
   A40        1.93377   0.00172   0.00000   0.00173   0.00171   1.93548
   A41        1.90619   0.00106   0.00000   0.00136   0.00136   1.90756
   A42        1.89945   0.00345   0.00000   0.00567   0.00560   1.90505
   A43        1.86387   0.00272   0.00000   0.00755   0.00749   1.87136
   A44        1.87015   0.00029   0.00000   0.00616   0.00611   1.87626
   A45        1.92475   0.00204   0.00000   0.00118   0.00119   1.92594
   A46        1.95639   0.00655   0.00000   0.01108   0.01097   1.96736
   A47        1.89089  -0.00321   0.00000  -0.00377  -0.00386   1.88704
   A48        1.97670  -0.01264   0.00000  -0.02587  -0.02582   1.95088
   A49        1.85059   0.00366   0.00000   0.00772   0.00779   1.85838
   A50        1.85822   0.00378   0.00000   0.01063   0.01065   1.86887
   A51        1.98787  -0.00765   0.00000  -0.01445  -0.01448   1.97339
   A52        1.93014   0.00102   0.00000   0.00059   0.00062   1.93076
   A53        1.91845  -0.00239   0.00000  -0.00852  -0.00851   1.90994
   A54        1.89003   0.00330   0.00000   0.00693   0.00690   1.89692
   A55        1.89191   0.00462   0.00000   0.00874   0.00862   1.90053
   A56        1.83906   0.00197   0.00000   0.00884   0.00879   1.84786
   A57        2.17220  -0.01000   0.00000  -0.01548  -0.01549   2.15670
   A58        2.10395   0.00067   0.00000   0.00111   0.00110   2.10505
   A59        2.00578   0.00941   0.00000   0.01471   0.01470   2.02048
   A60        1.93425   0.00871   0.00000   0.00809   0.00798   1.94223
   A61        1.89217  -0.00306   0.00000  -0.00371  -0.00366   1.88851
   A62        1.92770  -0.00615   0.00000  -0.01254  -0.01252   1.91518
   A63        1.91674  -0.00291   0.00000  -0.00247  -0.00240   1.91434
   A64        1.92190  -0.00015   0.00000   0.00298   0.00301   1.92491
   A65        1.86973   0.00328   0.00000   0.00748   0.00744   1.87717
   A66        1.89650   0.00348   0.00000   0.00118   0.00130   1.89780
   A67        1.92446  -0.00338   0.00000  -0.00455  -0.00457   1.91990
   A68        1.92494  -0.00007   0.00000  -0.00045  -0.00050   1.92443
   A69        1.92670   0.00011   0.00000   0.00185   0.00180   1.92850
   A70        1.93050  -0.00235   0.00000  -0.00329  -0.00331   1.92720
   A71        1.86089   0.00209   0.00000   0.00522   0.00524   1.86612
   A72        2.00660  -0.00387   0.00000  -0.00791  -0.00793   1.99867
   A73        1.92057  -0.00144   0.00000  -0.00495  -0.00493   1.91564
   A74        1.91874  -0.00361   0.00000  -0.01056  -0.01055   1.90819
   A75        1.89573   0.00286   0.00000   0.00668   0.00664   1.90237
   A76        1.87763   0.00387   0.00000   0.00840   0.00832   1.88595
   A77        1.83642   0.00294   0.00000   0.01038   0.01030   1.84673
   A78        2.18151  -0.01352   0.00000  -0.02409  -0.02408   2.15744
   A79        2.05775   0.01186   0.00000   0.01556   0.01559   2.07334
   A80        2.04036   0.00173   0.00000   0.00901   0.00895   2.04932
   A81        1.94038  -0.00210   0.00000  -0.00439  -0.00443   1.93596
   A82        1.93717  -0.00569   0.00000  -0.01156  -0.01162   1.92555
   A83        1.96529  -0.00791   0.00000  -0.01661  -0.01668   1.94861
   A84        1.87642   0.00448   0.00000   0.00968   0.00966   1.88609
   A85        1.88205   0.00507   0.00000   0.01007   0.01002   1.89207
   A86        1.85815   0.00731   0.00000   0.01522   0.01512   1.87328
   A87        1.93999  -0.00271   0.00000  -0.00562  -0.00565   1.93435
   A88        1.95222  -0.00367   0.00000  -0.00750  -0.00753   1.94470
   A89        1.94069  -0.00519   0.00000  -0.01089  -0.01093   1.92976
   A90        1.87844   0.00365   0.00000   0.00780   0.00779   1.88623
   A91        1.87998   0.00399   0.00000   0.00805   0.00801   1.88799
   A92        1.86898   0.00472   0.00000   0.00978   0.00974   1.87872
   A93        1.87144   0.01035   0.00000   0.01784   0.01805   1.88949
   A94        1.91771  -0.00591   0.00000  -0.00963  -0.00967   1.90804
   A95        1.90759  -0.00071   0.00000  -0.00117  -0.00119   1.90640
   A96        1.94375  -0.00074   0.00000  -0.00117  -0.00121   1.94254
   A97        1.94507  -0.00634   0.00000  -0.01200  -0.01204   1.93303
   A98        1.87834   0.00313   0.00000   0.00575   0.00574   1.88408
   A99        2.09240  -0.00024   0.00000  -0.00010  -0.00010   2.09230
   A100       2.09543  -0.00028   0.00000  -0.00016  -0.00016   2.09526
   A101       2.09532   0.00053   0.00000   0.00029   0.00028   2.09560
   A102       2.09193   0.00078   0.00000   0.00145   0.00145   2.09338
   A103       2.09513  -0.00060   0.00000  -0.00069  -0.00070   2.09444
   A104       2.09603  -0.00017   0.00000  -0.00070  -0.00071   2.09533
   A105       2.15244  -0.00511   0.00000  -0.00792  -0.00792   2.14451
   A106       2.08102  -0.01033   0.00000  -0.01605  -0.01606   2.06497
   A107       2.04953   0.01546   0.00000   0.02407   0.02406   2.07359
   A108       2.09332   0.00024   0.00000   0.00011   0.00011   2.09343
   A109       2.10126  -0.00123   0.00000  -0.00235  -0.00235   2.09891
   A110       2.08860   0.00099   0.00000   0.00224   0.00224   2.09084
   A111       2.09374   0.00011   0.00000  -0.00012  -0.00012   2.09363
   A112       2.10177  -0.00085   0.00000  -0.00159  -0.00159   2.10019
   A113       2.08765   0.00074   0.00000   0.00172   0.00172   2.08936
   A114       2.09349   0.00029   0.00000   0.00030   0.00030   2.09379
   A115       2.10003  -0.00122   0.00000  -0.00238  -0.00238   2.09765
   A116       2.08962   0.00093   0.00000   0.00208   0.00208   2.09171
   A117       2.09320   0.00046   0.00000   0.00048   0.00048   2.09368
   A118       2.10414  -0.00173   0.00000  -0.00335  -0.00335   2.10079
   A119       2.08582   0.00127   0.00000   0.00288   0.00288   2.08870
   A120       1.92496   0.01819   0.00000   0.03055   0.03057   1.95554
   A121       1.89959  -0.00693   0.00000  -0.01494  -0.01483   1.88476
   A122       1.97343  -0.00735   0.00000  -0.01198  -0.01216   1.96126
   A123       1.90616  -0.00823   0.00000  -0.01678  -0.01666   1.88950
   A124       1.88512  -0.00079   0.00000   0.00323   0.00320   1.88832
   A125       1.87308   0.00453   0.00000   0.00887   0.00881   1.88189
   A126       2.08917   0.00116   0.00000   0.00228   0.00228   2.09145
   A127       2.09646  -0.00060   0.00000  -0.00119  -0.00119   2.09527
   A128       2.09755  -0.00056   0.00000  -0.00109  -0.00109   2.09646
   A129       2.08849   0.00132   0.00000   0.00254   0.00255   2.09103
   A130       2.09632  -0.00063   0.00000  -0.00120  -0.00121   2.09511
   A131       2.09838  -0.00069   0.00000  -0.00134  -0.00134   2.09704
   A132       2.10632  -0.00336   0.00000  -0.00510  -0.00510   2.10122
   A133       2.08915   0.00164   0.00000   0.00246   0.00246   2.09160
   A134       2.08772   0.00172   0.00000   0.00264   0.00264   2.09036
   A135       2.08908   0.00124   0.00000   0.00238   0.00238   2.09146
   A136       2.09705  -0.00064   0.00000  -0.00124  -0.00124   2.09581
   A137       2.09705  -0.00060   0.00000  -0.00114  -0.00114   2.09591
   A138       2.08884   0.00140   0.00000   0.00255   0.00255   2.09139
   A139       2.09752  -0.00070   0.00000  -0.00127  -0.00127   2.09624
   A140       2.09683  -0.00070   0.00000  -0.00128  -0.00128   2.09555
   A141       2.10572  -0.00322   0.00000  -0.00501  -0.00501   2.10072
   A142       2.08850   0.00163   0.00000   0.00255   0.00254   2.09104
   A143       2.08896   0.00159   0.00000   0.00246   0.00246   2.09143
   A144       2.07700   0.01170   0.00000   0.01825   0.01822   2.09522
   A145       2.11763  -0.01349   0.00000  -0.02094  -0.02096   2.09667
   A146       2.08829   0.00173   0.00000   0.00245   0.00244   2.09073
   A147       2.09229  -0.00337   0.00000  -0.00504  -0.00503   2.08726
   A148       2.11018   0.00723   0.00000   0.01115   0.01115   2.12132
   A149       2.08071  -0.00386   0.00000  -0.00610  -0.00611   2.07460
   A150       2.08819   0.00178   0.00000   0.00239   0.00240   2.09059
   A151       2.11838  -0.00452   0.00000  -0.00684  -0.00684   2.11154
   A152       2.07658   0.00274   0.00000   0.00445   0.00445   2.08103
   A153       2.10023   0.00113   0.00000   0.00234   0.00234   2.10257
   A154       2.10089  -0.00235   0.00000  -0.00488  -0.00488   2.09601
   A155       2.08207   0.00122   0.00000   0.00253   0.00253   2.08460
   A156       2.10224  -0.00104   0.00000  -0.00198  -0.00198   2.10025
   A157       2.10006  -0.00131   0.00000  -0.00281  -0.00281   2.09725
   A158       2.08087   0.00236   0.00000   0.00480   0.00480   2.08567
   A159       1.94672  -0.00406   0.00000  -0.00885  -0.00888   1.93785
   A160       1.92481  -0.00253   0.00000  -0.00519  -0.00521   1.91960
   A161       1.93621  -0.00271   0.00000  -0.00525  -0.00527   1.93094
   A162       1.88481   0.00257   0.00000   0.00462   0.00459   1.88940
   A163       1.87534   0.00344   0.00000   0.00701   0.00699   1.88233
   A164       1.89399   0.00377   0.00000   0.00865   0.00865   1.90264
   A165       1.94658  -0.00410   0.00000  -0.00819  -0.00822   1.93836
   A166       1.93805  -0.00421   0.00000  -0.00881  -0.00884   1.92921
   A167       1.92413  -0.00232   0.00000  -0.00504  -0.00507   1.91906
   A168       1.87453   0.00494   0.00000   0.01067   0.01064   1.88517
   A169       1.88460   0.00359   0.00000   0.00762   0.00760   1.89221
   A170       1.89393   0.00265   0.00000   0.00489   0.00485   1.89879
   A171       2.09455  -0.00023   0.00000  -0.00019  -0.00019   2.09436
   A172       2.09402   0.00021   0.00000   0.00029   0.00029   2.09431
   A173       2.09456   0.00002   0.00000  -0.00010  -0.00010   2.09447
    D1       -0.93063  -0.01018   0.00000  -0.02878  -0.02922  -0.95985
    D2        3.13314   0.00503   0.00000   0.00930   0.00944  -3.14061
    D3        1.11816   0.00129   0.00000   0.00213   0.00243   1.12059
    D4        2.37288   0.00852   0.00000   0.03276   0.03276   2.40564
    D5       -1.81948   0.00512   0.00000   0.02139   0.02128  -1.79821
    D6        0.26019   0.00149   0.00000   0.01486   0.01497   0.27516
    D7       -1.94680  -0.00552   0.00000  -0.02381  -0.02381  -1.97060
    D8        1.21951  -0.00289   0.00000  -0.01242  -0.01243   1.20707
    D9        0.81899  -0.00258   0.00000  -0.00642  -0.00642   0.81257
   D10       -1.34568   0.00304   0.00000   0.00866   0.00866  -1.33702
   D11        2.90189  -0.00229   0.00000  -0.00796  -0.00795   2.89393
   D12       -2.16843  -0.00195   0.00000  -0.00547  -0.00547  -2.17390
   D13        1.95008   0.00367   0.00000   0.00961   0.00961   1.95969
   D14       -0.08554  -0.00166   0.00000  -0.00701  -0.00700  -0.09254
   D15        2.75803   0.00072   0.00000   0.00110   0.00102   2.75906
   D16       -1.42035   0.00050   0.00000   0.00064   0.00059  -1.41976
   D17        0.62327  -0.00081   0.00000   0.00041   0.00042   0.62369
   D18       -0.54459   0.00100   0.00000   0.00124   0.00120  -0.54339
   D19        1.56021   0.00079   0.00000   0.00078   0.00076   1.56098
   D20       -2.67935  -0.00053   0.00000   0.00055   0.00059  -2.67876
   D21       -0.05077   0.00059   0.00000   0.00166   0.00157  -0.04921
   D22       -3.09952  -0.00100   0.00000  -0.00556  -0.00560  -3.10512
   D23       -3.03356   0.00133   0.00000   0.00310   0.00298  -3.03058
   D24        0.20088  -0.00026   0.00000  -0.00412  -0.00419   0.19669
   D25       -1.22923  -0.00372   0.00000  -0.00756  -0.00752  -1.23675
   D26        2.82010   0.00319   0.00000   0.00450   0.00448   2.82458
   D27        0.80929  -0.00159   0.00000  -0.00609  -0.00607   0.80322
   D28        1.84714  -0.00167   0.00000   0.00156   0.00158   1.84872
   D29       -0.38672   0.00524   0.00000   0.01362   0.01357  -0.37314
   D30       -2.39752   0.00046   0.00000   0.00303   0.00303  -2.39450
   D31       -0.06440   0.00152   0.00000   0.00677   0.00681  -0.05759
   D32        3.02330   0.00324   0.00000   0.01398   0.01397   3.03727
   D33       -3.13946  -0.00040   0.00000  -0.00216  -0.00215   3.14158
   D34       -0.05176   0.00132   0.00000   0.00505   0.00501  -0.04675
   D35       -2.31671  -0.00249   0.00000  -0.00110  -0.00113  -2.31784
   D36        1.74680   0.00761   0.00000   0.02375   0.02374   1.77055
   D37       -0.29848   0.00117   0.00000   0.00664   0.00664  -0.29183
   D38        0.83683  -0.00402   0.00000  -0.00792  -0.00794   0.82889
   D39       -1.38284   0.00609   0.00000   0.01692   0.01694  -1.36590
   D40        2.85506  -0.00035   0.00000  -0.00019  -0.00016   2.85490
   D41        0.00991   0.00150   0.00000   0.00624   0.00623   0.01614
   D42       -3.11024   0.00037   0.00000   0.00098   0.00096  -3.10928
   D43        3.13932   0.00300   0.00000   0.01311   0.01313  -3.13074
   D44        0.01917   0.00188   0.00000   0.00785   0.00786   0.02703
   D45        2.92628   0.00277   0.00000   0.00858   0.00844   2.93472
   D46       -0.30137   0.00289   0.00000   0.01310   0.01309  -0.28828
   D47       -0.01141   0.00060   0.00000   0.00125   0.00117  -0.01024
   D48        3.04413   0.00072   0.00000   0.00577   0.00582   3.04995
   D49        0.70964  -0.00430   0.00000  -0.01260  -0.01253   0.69712
   D50        2.82464  -0.00232   0.00000  -0.00872  -0.00868   2.81596
   D51       -1.40112  -0.00241   0.00000  -0.00809  -0.00808  -1.40920
   D52       -2.63698  -0.00201   0.00000  -0.00501  -0.00499  -2.64198
   D53       -0.52198  -0.00002   0.00000  -0.00113  -0.00115  -0.52313
   D54        1.53544  -0.00012   0.00000  -0.00050  -0.00054   1.53490
   D55       -1.08538  -0.00330   0.00000  -0.01566  -0.01563  -1.10101
   D56        1.08277  -0.00080   0.00000  -0.00575  -0.00570   1.07708
   D57        3.05609   0.00056   0.00000   0.00024   0.00030   3.05639
   D58        1.13826  -0.00376   0.00000  -0.01563  -0.01573   1.12253
   D59       -2.97678  -0.00126   0.00000  -0.00572  -0.00580  -2.98257
   D60       -1.00346   0.00010   0.00000   0.00027   0.00020  -1.00326
   D61       -3.13161  -0.00323   0.00000  -0.01407  -0.01405   3.13753
   D62       -0.96346  -0.00073   0.00000  -0.00416  -0.00411  -0.96757
   D63        1.00986   0.00063   0.00000   0.00183   0.00188   1.01174
   D64       -0.99200   0.00263   0.00000   0.00439   0.00443  -0.98757
   D65        1.14108   0.00220   0.00000   0.00348   0.00351   1.14459
   D66       -3.11873   0.00378   0.00000   0.00954   0.00951  -3.10921
   D67        3.05253  -0.00361   0.00000  -0.00846  -0.00849   3.04404
   D68       -1.09758  -0.00404   0.00000  -0.00937  -0.00941  -1.10699
   D69        0.92580  -0.00246   0.00000  -0.00332  -0.00341   0.92240
   D70        1.03310   0.00045   0.00000   0.00078   0.00084   1.03394
   D71       -3.11701   0.00002   0.00000  -0.00014  -0.00008  -3.11710
   D72       -1.09363   0.00160   0.00000   0.00592   0.00592  -1.08771
   D73       -3.07648   0.00016   0.00000  -0.00127  -0.00126  -3.07774
   D74        1.06003   0.00074   0.00000   0.00526   0.00524   1.06527
   D75       -0.99604  -0.00130   0.00000  -0.00414  -0.00412  -1.00017
   D76       -0.92650  -0.00295   0.00000  -0.01280  -0.01279  -0.93928
   D77       -3.07318  -0.00237   0.00000  -0.00627  -0.00629  -3.07947
   D78        1.15394  -0.00440   0.00000  -0.01567  -0.01565   1.13828
   D79        1.07081   0.00382   0.00000   0.01116   0.01116   1.08197
   D80       -1.07587   0.00440   0.00000   0.01768   0.01766  -1.05821
   D81       -3.13194   0.00236   0.00000   0.00829   0.00830  -3.12364
   D82        1.45149   0.00205   0.00000   0.00642   0.00646   1.45795
   D83       -1.63850   0.00077   0.00000   0.00010   0.00011  -1.63839
   D84       -0.74831   0.00253   0.00000   0.01339   0.01337  -0.73494
   D85        2.44487   0.00126   0.00000   0.00707   0.00702   2.45190
   D86       -2.74096  -0.00057   0.00000   0.00012   0.00014  -2.74082
   D87        0.45223  -0.00184   0.00000  -0.00620  -0.00621   0.44602
   D88        1.11596   0.01259   0.00000   0.04224   0.04252   1.15849
   D89       -2.99102   0.00013   0.00000   0.00778   0.00758  -2.98345
   D90       -0.90838  -0.00092   0.00000   0.00165   0.00162  -0.90676
   D91       -1.04694   0.01000   0.00000   0.03220   0.03246  -1.01449
   D92        1.12925  -0.00246   0.00000  -0.00226  -0.00249   1.12677
   D93       -3.07129  -0.00351   0.00000  -0.00839  -0.00845  -3.07973
   D94       -3.03066   0.00833   0.00000   0.02527   0.02552  -3.00514
   D95       -0.85446  -0.00413   0.00000  -0.00920  -0.00942  -0.86388
   D96        1.22818  -0.00518   0.00000  -0.01533  -0.01538   1.21280
   D97       -1.03521   0.00092   0.00000  -0.00226  -0.00199  -1.03720
   D98        1.17314   0.00150   0.00000  -0.00662  -0.00627   1.16687
   D99       -3.07860   0.00162   0.00000  -0.00274  -0.00243  -3.08104
   D100       3.06109  -0.00382   0.00000  -0.00276  -0.00310   3.05799
   D101      -1.01374  -0.00324   0.00000  -0.00712  -0.00738  -1.02113
   D102       1.01770  -0.00313   0.00000  -0.00324  -0.00355   1.01415
   D103       0.96719   0.00119   0.00000   0.00771   0.00767   0.97486
   D104      -3.10764   0.00177   0.00000   0.00336   0.00339  -3.10425
   D105      -1.07620   0.00189   0.00000   0.00723   0.00723  -1.06898
   D106      -0.95772  -0.00009   0.00000   0.00114   0.00112  -0.95660
   D107      -3.04549  -0.00057   0.00000  -0.00048  -0.00047  -3.04597
   D108       1.15645  -0.00063   0.00000  -0.00071  -0.00073   1.15572
   D109       1.20762  -0.00143   0.00000  -0.00702  -0.00704   1.20059
   D110      -0.88015  -0.00190   0.00000  -0.00864  -0.00863  -0.88878
   D111      -2.96139  -0.00196   0.00000  -0.00887  -0.00889  -2.97028
   D112      -3.06209   0.00204   0.00000   0.00691   0.00693  -3.05516
   D113       1.13333   0.00157   0.00000   0.00529   0.00533   1.13866
   D114      -0.94791   0.00150   0.00000   0.00506   0.00507  -0.94284
   D115       1.04791  -0.00318   0.00000  -0.00882  -0.00884   1.03907
   D116      -1.05229  -0.00346   0.00000  -0.00977  -0.00978  -1.06207
   D117      -3.14092  -0.00344   0.00000  -0.00972  -0.00974   3.13253
   D118      -1.14792   0.00432   0.00000   0.01241   0.01242  -1.13550
   D119       3.03506   0.00404   0.00000   0.01145   0.01148   3.04654
   D120       0.94643   0.00405   0.00000   0.01151   0.01153   0.95796
   D121       3.12586  -0.00074   0.00000  -0.00247  -0.00248   3.12338
   D122       1.02565  -0.00102   0.00000  -0.00342  -0.00342   1.02223
   D123      -1.06298  -0.00101   0.00000  -0.00337  -0.00337  -1.06635
   D124      -0.82167  -0.00164   0.00000  -0.00760  -0.00763  -0.82931
   D125       1.32518  -0.00184   0.00000  -0.00849  -0.00852   1.31666
   D126      -2.94321  -0.00119   0.00000  -0.00487  -0.00493  -2.94814
   D127      -3.01317   0.00042   0.00000   0.00260   0.00260  -3.01057
   D128      -0.86632   0.00022   0.00000   0.00171   0.00171  -0.86460
   D129       1.14848   0.00087   0.00000   0.00533   0.00530   1.15378
   D130       1.24308   0.00045   0.00000   0.00056   0.00062   1.24370
   D131      -2.89325   0.00025   0.00000  -0.00033  -0.00027  -2.89352
   D132      -0.87846   0.00089   0.00000   0.00329   0.00332  -0.87514
   D133      -1.51037   0.00108   0.00000   0.00331   0.00332  -1.50705
   D134       1.62152   0.00157   0.00000   0.00551   0.00553   1.62704
   D135       2.61781   0.00256   0.00000   0.00731   0.00735   2.62516
   D136      -0.53349   0.00305   0.00000   0.00951   0.00956  -0.52393
   D137       0.63096  -0.00378   0.00000  -0.01102  -0.01107   0.61989
   D138      -2.52033  -0.00329   0.00000  -0.00881  -0.00887  -2.52920
   D139       0.92806  -0.00062   0.00000  -0.00254  -0.00251   0.92555
   D140       3.04187  -0.00036   0.00000  -0.00232  -0.00229   3.03958
   D141      -1.19074   0.00010   0.00000   0.00104   0.00106  -1.18969
   D142      -1.16209  -0.00045   0.00000  -0.00146  -0.00144  -1.16354
   D143       0.95172  -0.00019   0.00000  -0.00124  -0.00122   0.95049
   D144       3.00229   0.00027   0.00000   0.00212   0.00212   3.00441
   D145       3.06620  -0.00261   0.00000  -0.01090  -0.01090   3.05529
   D146      -1.10318  -0.00236   0.00000  -0.01068  -0.01068  -1.11386
   D147       0.94740  -0.00189   0.00000  -0.00732  -0.00734   0.94006
   D148      -0.97690  -0.00240   0.00000  -0.00151  -0.00144  -0.97833
   D149      -3.07540  -0.00128   0.00000  -0.00035  -0.00034  -3.07574
   D150       1.11001  -0.00044   0.00000   0.00131   0.00133   1.11134
   D151      -3.08933  -0.00051   0.00000   0.00221   0.00226  -3.08708
   D152       1.09535   0.00060   0.00000   0.00337   0.00335   1.09870
   D153      -1.00243   0.00144   0.00000   0.00503   0.00502  -0.99741
   D154       1.13849  -0.00170   0.00000  -0.00335  -0.00328   1.13521
   D155      -0.96001  -0.00059   0.00000  -0.00219  -0.00219  -0.96220
   D156      -3.05779   0.00025   0.00000  -0.00053  -0.00052  -3.05831
   D157      -1.35520   0.00016   0.00000  -0.00024  -0.00023  -1.35543
   D158       1.77236   0.00115   0.00000   0.00418   0.00418   1.77654
   D159       2.76791   0.00259   0.00000   0.00669   0.00673   2.77464
   D160      -0.38772   0.00357   0.00000   0.01111   0.01115  -0.37657
   D161       0.78852  -0.00419   0.00000  -0.01290  -0.01296   0.77556
   D162      -2.36711  -0.00321   0.00000  -0.00849  -0.00854  -2.37565
   D163       3.13123   0.00053   0.00000   0.00230   0.00230   3.13353
   D164      -0.00732   0.00037   0.00000   0.00166   0.00166  -0.00567
   D165      -0.00066   0.00004   0.00000   0.00010   0.00010  -0.00056
   D166      -3.13921  -0.00012   0.00000  -0.00055  -0.00055  -3.13976
   D167      -3.13018  -0.00060   0.00000  -0.00260  -0.00260  -3.13278
   D168       0.00483  -0.00007   0.00000  -0.00038  -0.00038   0.00444
   D169       0.00169  -0.00011   0.00000  -0.00039  -0.00039   0.00130
   D170       3.13670   0.00042   0.00000   0.00183   0.00183   3.13852
   D171       3.12377   0.00102   0.00000   0.00449   0.00450   3.12826
   D172      -0.00723   0.00092   0.00000   0.00408   0.00408  -0.00315
   D173      -0.00379   0.00004   0.00000   0.00008   0.00008  -0.00371
   D174      -3.13479  -0.00006   0.00000  -0.00034  -0.00034  -3.13513
   D175      -3.12310  -0.00110   0.00000  -0.00481  -0.00480  -3.12791
   D176       0.01078  -0.00072   0.00000  -0.00321  -0.00321   0.00756
   D177       0.00442  -0.00011   0.00000  -0.00036  -0.00036   0.00406
   D178       3.13830   0.00027   0.00000   0.00123   0.00123   3.13953
   D179       2.73269  -0.00118   0.00000  -0.00377  -0.00388   2.72880
   D180       0.64584   0.00136   0.00000   0.00638   0.00642   0.65226
   D181      -1.38592   0.00083   0.00000   0.00307   0.00316  -1.38276
   D182      -0.42944  -0.00005   0.00000   0.00134   0.00122  -0.42822
   D183      -2.51628   0.00248   0.00000   0.01149   0.01152  -2.50476
   D184       1.73514   0.00195   0.00000   0.00819   0.00826   1.74340
   D185      -0.00007   0.00000   0.00000   0.00000   0.00000  -0.00007
   D186      -3.14083  -0.00005   0.00000  -0.00018  -0.00018  -3.14101
   D187       3.13851   0.00014   0.00000   0.00063   0.00063   3.13914
   D188      -0.00225   0.00010   0.00000   0.00045   0.00045  -0.00180
   D189      -0.00198   0.00014   0.00000   0.00057   0.00057  -0.00140
   D190       3.13909   0.00020   0.00000   0.00083   0.00083   3.13992
   D191      -3.13704  -0.00037   0.00000  -0.00161  -0.00161  -3.13865
   D192       0.00403  -0.00032   0.00000  -0.00136  -0.00136   0.00267
   D193       0.00082   0.00002   0.00000   0.00014   0.00014   0.00096
   D194      -3.13729   0.00007   0.00000   0.00033   0.00033  -3.13696
   D195       3.13189   0.00011   0.00000   0.00052   0.00052   3.13241
   D196      -0.00622   0.00016   0.00000   0.00071   0.00071  -0.00551
   D197      -0.00209   0.00011   0.00000   0.00043   0.00043  -0.00166
   D198       3.13708   0.00015   0.00000   0.00061   0.00061   3.13769
   D199      -3.13605  -0.00026   0.00000  -0.00112  -0.00112  -3.13718
   D200       0.00311  -0.00022   0.00000  -0.00094  -0.00094   0.00218
   D201      -0.00023   0.00004   0.00000   0.00019   0.00019  -0.00004
   D202      -3.14044  -0.00006   0.00000  -0.00027  -0.00027  -3.14071
   D203       3.14052   0.00008   0.00000   0.00038   0.00038   3.14090
   D204       0.00031  -0.00002   0.00000  -0.00008  -0.00008   0.00023
   D205       0.00126  -0.00011   0.00000  -0.00048  -0.00048   0.00078
   D206       3.14147  -0.00001   0.00000  -0.00002  -0.00002   3.14145
   D207      -3.13981  -0.00017   0.00000  -0.00074  -0.00074  -3.14055
   D208       0.00040  -0.00007   0.00000  -0.00028  -0.00028   0.00012
   D209       0.00151  -0.00002   0.00000  -0.00007  -0.00007   0.00144
   D210      -3.14016   0.00003   0.00000   0.00011   0.00011  -3.14004
   D211       3.13962  -0.00007   0.00000  -0.00026  -0.00026   3.13936
   D212      -0.00205  -0.00002   0.00000  -0.00007  -0.00007  -0.00212
   D213      -0.00087  -0.00004   0.00000  -0.00021  -0.00021  -0.00109
   D214       3.14079  -0.00010   0.00000  -0.00040  -0.00040   3.14040
   D215      -3.14004  -0.00008   0.00000  -0.00040  -0.00040  -3.14044
   D216       0.00163  -0.00014   0.00000  -0.00058  -0.00058   0.00104
   D217       3.13151   0.00273   0.00000   0.01131   0.01143  -3.14025
   D218      -0.00553   0.00176   0.00000   0.00702   0.00711   0.00158
   D219      -0.03437  -0.00008   0.00000  -0.00023  -0.00025  -0.03462
   D220       3.11177  -0.00105   0.00000  -0.00452  -0.00456   3.10721
   D221      -3.13038  -0.00232   0.00000  -0.01049  -0.01038  -3.14076
   D222       0.02072  -0.00247   0.00000  -0.01107  -0.01097   0.00975
   D223       0.03608   0.00019   0.00000   0.00076   0.00074   0.03682
   D224      -3.09600   0.00004   0.00000   0.00018   0.00015  -3.09585
   D225       0.01081  -0.00012   0.00000  -0.00068  -0.00065   0.01016
   D226      -3.13016  -0.00027   0.00000  -0.00117  -0.00115  -3.13131
   D227      -3.13526   0.00086   0.00000   0.00358   0.00360  -3.13166
   D228       0.00696   0.00071   0.00000   0.00309   0.00309   0.01005
   D229      -2.85834   0.00039   0.00000   0.00224   0.00226  -2.85608
   D230       1.33057   0.00151   0.00000   0.00569   0.00569   1.33626
   D231      -0.76836   0.00021   0.00000   0.00168   0.00170  -0.76666
   D232       0.28777  -0.00057   0.00000  -0.00202  -0.00203   0.28574
   D233      -1.80650   0.00054   0.00000   0.00143   0.00140  -1.80509
   D234       2.37775  -0.00075   0.00000  -0.00258  -0.00259   2.37517
   D235      -0.01433  -0.00001   0.00000  -0.00022  -0.00019  -0.01452
   D236       3.13279  -0.00010   0.00000  -0.00043  -0.00043   3.13237
   D237       3.11798   0.00011   0.00000   0.00028   0.00032   3.11831
   D238      -0.01808   0.00002   0.00000   0.00007   0.00009  -0.01799
   D239       2.74780   0.00017   0.00000   0.00054   0.00055   2.74835
   D240       0.65770  -0.00050   0.00000  -0.00155  -0.00154   0.65616
   D241      -1.44192   0.00046   0.00000   0.00141   0.00141  -1.44051
   D242      -0.38434   0.00002   0.00000  -0.00003  -0.00003  -0.38437
   D243      -2.47444  -0.00065   0.00000  -0.00211  -0.00211  -2.47656
   D244       1.70912   0.00031   0.00000   0.00084   0.00083   1.70995
   D245       0.01117   0.00021   0.00000   0.00109   0.00107   0.01224
   D246      -3.14134   0.00019   0.00000   0.00095   0.00093  -3.14041
   D247      -3.13104   0.00036   0.00000   0.00156   0.00157  -3.12947
   D248      -0.00037   0.00033   0.00000   0.00142   0.00143   0.00106
   D249      -0.00937  -0.00019   0.00000  -0.00068  -0.00069  -0.01005
   D250      -3.14003  -0.00017   0.00000  -0.00054  -0.00056  -3.14059
   D251       3.12676  -0.00011   0.00000  -0.00049  -0.00048   3.12628
   D252      -0.00391  -0.00009   0.00000  -0.00036  -0.00035  -0.00426
         Item               Value     Threshold  Converged?
 Maximum Force            0.061370     0.000450     NO 
 RMS     Force            0.009791     0.000300     NO 
 Maximum Displacement     1.196422     0.001800     NO 
 RMS     Displacement     0.237669     0.001200     NO 
 Predicted change in Energy=-4.940194D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.212547   -0.050384   -0.079358
      2          8           0       -3.656911    0.128929    2.170222
      3          8           0       -2.443529    2.763002   -1.736335
      4          8           0        3.469319   -3.368482    0.056430
      5          8           0        3.978173   -0.524632   -2.040825
      6          7           0       -2.686605    2.637215    0.578330
      7          7           0       -3.246625   -0.498363    0.000850
      8          7           0        2.263414   -1.428778   -0.034147
      9          7           0       -0.882581    3.780849   -0.449867
     10          6           0       -2.809993   -1.858217    0.274451
     11          6           0       -3.902581    1.839953    0.458206
     12          6           0       -1.411378   -1.961881    0.927691
     13          6           0       -0.193995   -1.455830    0.129384
     14          6           0       -5.118385    2.422991    1.215297
     15          6           0        1.146020   -1.825132    0.806669
     16          6           0       -2.906326   -2.743364   -0.981044
     17          6           0       -3.607417    0.399695    0.959307
     18          6           0       -2.286044    3.121748    1.901319
     19          6           0       -0.787278    3.446563    1.945075
     20          6           0        1.242544   -1.250700    2.236798
     21          6           0       -2.055021    3.065846   -0.587997
     22          6           0       -6.344066    1.518269    1.140207
     23          6           0       -5.482329    3.804806    0.678638
     24          6           0       -0.456434    4.401798    0.791980
     25          6           0       -4.289681   -2.778070   -1.573464
     26          6           0        2.588873   -1.420003    2.888333
     27          6           0        3.338265   -2.201103   -0.346461
     28          6           0       -5.227357   -3.699671   -1.099150
     29          6           0       -4.638619   -1.883757   -2.590305
     30          6           0        2.955803   -2.659613    3.419758
     31          6           0        3.475735   -0.340964    2.951311
     32          6           0        4.455914   -1.599792   -1.221401
     33          6           0       -6.513103   -3.726567   -1.640681
     34          6           0       -5.924505   -1.910603   -3.130646
     35          6           0       -6.857990   -2.832382   -2.654501
     36          6           0        4.209547   -2.821299    4.009407
     37          6           0        4.729605   -0.503282    3.540721
     38          6           0        5.093590   -1.743030    4.067644
     39          6           0        4.827627    0.567448   -2.111069
     40          6           0        4.444064    1.796265   -1.542346
     41          6           0        6.056119    0.463958   -2.788116
     42          6           0        5.307418    2.891813   -1.620118
     43          6           0        6.907086    1.568874   -2.853573
     44          6           0        3.124011    1.962345   -0.849800
     45          6           0        6.465043   -0.815817   -3.454106
     46          6           0        6.537437    2.778051   -2.266432
     47          1           0       -3.525547   -2.277507    1.012067
     48          1           0       -4.210802    1.764981   -0.603897
     49          1           0       -1.442110   -1.446329    1.904864
     50          1           0       -1.241249   -3.028187    1.161620
     51          1           0       -0.209667   -1.931422   -0.872929
     52          1           0       -4.861816    2.538537    2.284579
     53          1           0        1.158195   -2.930710    0.898119
     54          1           0       -3.229091   -0.208052   -0.960866
     55          1           0       -2.197434   -2.398090   -1.756397
     56          1           0       -2.599497   -3.773825   -0.728528
     57          1           0       -2.871567    4.032821    2.127589
     58          1           0       -2.536778    2.365675    2.667194
     59          1           0       -0.528980    3.906612    2.913994
     60          1           0       -0.191624    2.518553    1.860382
     61          1           0        0.980157   -0.177027    2.226707
     62          1           0        0.487650   -1.738988    2.878729
     63          1           0       -6.601254    1.289834    0.092623
     64          1           0       -7.213785    2.011790    1.606182
     65          1           0       -6.181027    0.567370    1.673990
     66          1           0       -5.731197    3.755628   -0.394879
     67          1           0       -4.650907    4.517437    0.804617
     68          1           0       -6.355133    4.211328    1.215691
     69          1           0        0.627181    4.611419    0.742850
     70          1           0       -0.984894    5.365796    0.917490
     71          1           0        2.218220   -0.495643   -0.402857
     72          1           0       -0.385776    4.019534   -1.288321
     73          1           0       -1.043089    0.185513   -0.499138
     74          1           0       -4.959378   -4.396596   -0.305965
     75          1           0       -3.911879   -1.161592   -2.961312
     76          1           0        2.268735   -3.503566    3.366476
     77          1           0        3.195834    0.626680    2.537129
     78          1           0        4.838186   -2.393376   -1.888456
     79          1           0        5.283500   -1.287606   -0.557907
     80          1           0       -7.245125   -4.443467   -1.272072
     81          1           0       -6.198144   -1.213896   -3.921304
     82          1           0       -7.861650   -2.852698   -3.076659
     83          1           0        4.499032   -3.787347    4.420147
     84          1           0        5.423411    0.334291    3.587789
     85          1           0        6.073204   -1.870124    4.526938
     86          1           0        5.022991    3.843848   -1.174495
     87          1           0        7.863655    1.493155   -3.368844
     88          1           0        2.871550    3.028904   -0.729828
     89          1           0        3.163153    1.501684    0.151907
     90          1           0        2.316315    1.486991   -1.432887
     91          1           0        7.212052   -0.630415   -4.244090
     92          1           0        5.592658   -1.306641   -3.917935
     93          1           0        6.906007   -1.502374   -2.711709
     94          1           0        7.205248    3.637099   -2.321571
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0854601      0.0382859      0.0356199
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3214.8194980076 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.216049508831     A.U. after   14 cycles
             Convg  =    0.7586D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.002171577   -0.010759172    0.005806049
      2        8          -0.007420247   -0.008178949    0.000553500
      3        8          -0.004164304    0.014440652   -0.012943058
      4        8          -0.006472742   -0.007157975   -0.009857658
      5        8          -0.010651696    0.005805496   -0.000449182
      6        7          -0.030617887   -0.000598267    0.003401428
      7        7           0.008130022    0.000973069   -0.023963694
      8        7          -0.003606878    0.013272444    0.018338313
      9        7           0.036881921   -0.006965500    0.012342400
     10        6           0.015348832    0.005410460    0.002463416
     11        6          -0.002756650   -0.009031385    0.014883816
     12        6           0.013314041    0.005436879   -0.002585931
     13        6          -0.014335147    0.013992571    0.010478365
     14        6          -0.002062999    0.012939158    0.002385124
     15        6           0.013521613   -0.009146250    0.006692847
     16        6          -0.005218186    0.015216491    0.002898870
     17        6           0.002074197    0.000107125    0.014466909
     18        6           0.018184874    0.011299708   -0.020353766
     19        6          -0.000984345    0.007922863    0.007298738
     20        6           0.010739683   -0.011718409   -0.001468678
     21        6           0.001915952   -0.014525320    0.006959225
     22        6           0.013936163   -0.004001085   -0.000148992
     23        6          -0.003287391   -0.007290511   -0.010569500
     24        6          -0.018912838    0.009117062   -0.027315724
     25        6           0.006027843   -0.013629523    0.004718927
     26        6          -0.003584748    0.016692913   -0.003953541
     27        6           0.013736382    0.004134444   -0.000703608
     28        6           0.002019403    0.007530186    0.000945984
     29        6          -0.007484265    0.001280763   -0.001215260
     30        6           0.005287516   -0.003920621    0.003868182
     31        6          -0.002306677   -0.006543664   -0.003848575
     32        6          -0.007057467    0.002364500    0.006867078
     33        6           0.008795361   -0.000358904    0.001802320
     34        6          -0.004416375   -0.007840459   -0.001992853
     35        6           0.002787887   -0.004260563    0.000392565
     36        6           0.003628828    0.005798046    0.005593144
     37        6          -0.007480696    0.001236243   -0.004683942
     38        6          -0.002006071    0.004492622    0.000430003
     39        6           0.009660360   -0.008808681    0.005372285
     40        6          -0.017002345    0.005292605    0.008101956
     41        6           0.001338106   -0.001826556   -0.018104299
     42        6           0.003163355   -0.001072565   -0.009700391
     43        6          -0.005300941    0.003246314    0.006643486
     44        6           0.017011804   -0.005592978   -0.012323509
     45        6           0.000201966    0.002995558    0.020497203
     46        6          -0.006388360    0.001303557   -0.003689601
     47        1          -0.015296567   -0.004342407    0.004307058
     48        1           0.009735084    0.014136523   -0.004987584
     49        1          -0.000545736   -0.001593245    0.013381945
     50        1          -0.004538432   -0.004503785   -0.011011366
     51        1           0.000456276    0.006667336   -0.013927972
     52        1          -0.002947041   -0.012888382    0.005593755
     53        1          -0.006183089   -0.006144026   -0.012569302
     54        1          -0.005362933   -0.005055378    0.002310395
     55        1           0.012353734    0.001710117   -0.000443384
     56        1          -0.006389532   -0.009781975   -0.005228450
     57        1          -0.000075944    0.005967037    0.013631081
     58        1          -0.011366493   -0.006959963   -0.006276273
     59        1          -0.000946716   -0.003929374    0.009792806
     60        1           0.000293882   -0.005033673   -0.009549558
     61        1           0.006138799    0.007776595    0.008517561
     62        1          -0.012817090    0.000369286   -0.003367913
     63        1           0.003196993    0.007390414   -0.006254608
     64        1          -0.003546521    0.003264416    0.008975546
     65        1          -0.002609483   -0.009424719   -0.005196023
     66        1           0.002241923    0.007383214   -0.006267801
     67        1           0.007868712   -0.005081793    0.003809697
     68        1          -0.008182969    0.001898001    0.006227339
     69        1           0.009498517   -0.007762952   -0.002652049
     70        1          -0.001135982    0.005276856    0.012824511
     71        1          -0.003541258   -0.002823142   -0.003241552
     72        1          -0.008673269   -0.000605878    0.003419683
     73        1          -0.000183883    0.001296589   -0.001331084
     74        1          -0.003058597   -0.006692228   -0.001205659
     75        1           0.007417743   -0.000284473    0.001131095
     76        1          -0.005673226    0.002221863   -0.003968978
     77        1           0.002721979    0.005915972    0.004062146
     78        1           0.001103953    0.003272197   -0.012614013
     79        1           0.003298834   -0.007702651    0.007019939
     80        1          -0.007311701    0.000031906   -0.001740231
     81        1           0.003693922    0.006563059    0.001329107
     82        1          -0.003882445    0.006780584   -0.000426222
     83        1          -0.003090086   -0.005082878   -0.004386893
     84        1           0.006065401   -0.001579069    0.004088928
     85        1           0.002974514   -0.006745410   -0.000332368
     86        1          -0.000763499    0.001609170    0.007704191
     87        1           0.005940919   -0.002069617   -0.004715231
     88        1           0.003803933    0.003255605    0.009377726
     89        1          -0.006699735   -0.008796025    0.000652578
     90        1          -0.004930144    0.006393940   -0.006817594
     91        1           0.009986710    0.000734238   -0.002430116
     92        1          -0.007365422    0.007054575   -0.003393533
     93        1          -0.004126326   -0.009855755   -0.001831472
     94        1           0.006093860   -0.001305089    0.003679775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.036881921 RMS     0.008297962

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.018863675 RMS     0.004627934
 Search for a local minimum.
 Step number   2 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -4.40D-02 DEPred=-4.94D-02 R= 8.90D-01
 SS=  1.41D+00  RLast= 3.00D-01 DXNew= 5.0454D-01 8.9996D-01
 Trust test= 8.90D-01 RLast= 3.00D-01 DXMaxT set to 5.05D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00230   0.00230   0.00231   0.00238   0.00291
     Eigenvalues ---    0.00426   0.00429   0.00480   0.00484   0.00555
     Eigenvalues ---    0.00630   0.00751   0.00820   0.00832   0.00950
     Eigenvalues ---    0.01162   0.01185   0.01285   0.01393   0.01404
     Eigenvalues ---    0.01435   0.01442   0.01445   0.01451   0.01459
     Eigenvalues ---    0.01501   0.01610   0.01991   0.02009   0.02034
     Eigenvalues ---    0.02105   0.02118   0.02124   0.02136   0.02144
     Eigenvalues ---    0.02150   0.02151   0.02151   0.02157   0.02161
     Eigenvalues ---    0.02169   0.02172   0.02172   0.02176   0.02176
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02182   0.02187
     Eigenvalues ---    0.02187   0.02188   0.02402   0.02457   0.02915
     Eigenvalues ---    0.03421   0.03428   0.03459   0.03650   0.03659
     Eigenvalues ---    0.03745   0.03884   0.04082   0.04172   0.04481
     Eigenvalues ---    0.04613   0.04680   0.04718   0.04811   0.04924
     Eigenvalues ---    0.04963   0.05114   0.05140   0.05234   0.05254
     Eigenvalues ---    0.05361   0.05408   0.05489   0.05514   0.05726
     Eigenvalues ---    0.05800   0.05807   0.05905   0.06183   0.06377
     Eigenvalues ---    0.07130   0.07131   0.07196   0.07212   0.07339
     Eigenvalues ---    0.07375   0.07683   0.07698   0.08896   0.09171
     Eigenvalues ---    0.09231   0.09431   0.09639   0.10361   0.11555
     Eigenvalues ---    0.11945   0.12845   0.12879   0.13029   0.14088
     Eigenvalues ---    0.15684   0.15924   0.15988   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16100   0.16339
     Eigenvalues ---    0.16993   0.17061   0.17128   0.17470   0.17537
     Eigenvalues ---    0.18094   0.18462   0.18668   0.18857   0.18948
     Eigenvalues ---    0.20175   0.21350   0.21922   0.21948   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22000   0.22002   0.22006
     Eigenvalues ---    0.22084   0.22437   0.23298   0.23472   0.23484
     Eigenvalues ---    0.23566   0.24394   0.24662   0.24912   0.24954
     Eigenvalues ---    0.24983   0.24993   0.24998   0.24999   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25000   0.25422   0.26634
     Eigenvalues ---    0.26909   0.27083   0.27132   0.27396   0.27781
     Eigenvalues ---    0.28206   0.28240   0.28444   0.28542   0.28682
     Eigenvalues ---    0.28753   0.29835   0.29989   0.30225   0.30890
     Eigenvalues ---    0.32510   0.33687   0.34453   0.34522   0.34548
     Eigenvalues ---    0.34570   0.34641   0.34672   0.34689   0.34697
     Eigenvalues ---    0.34700   0.34718   0.34728   0.34732   0.34736
     Eigenvalues ---    0.34742   0.34745   0.34751   0.34761   0.34773
     Eigenvalues ---    0.34783   0.34786   0.34791   0.34801   0.34808
     Eigenvalues ---    0.34817   0.34828   0.34834   0.34840   0.34852
     Eigenvalues ---    0.34871   0.34893   0.35287   0.35459   0.35830
     Eigenvalues ---    0.35890   0.35901   0.35922   0.35947   0.35969
     Eigenvalues ---    0.35983   0.35991   0.36000   0.36004   0.36025
     Eigenvalues ---    0.36033   0.36064   0.36215   0.39184   0.41137
     Eigenvalues ---    0.41491   0.42048   0.42144   0.42297   0.42393
     Eigenvalues ---    0.42596   0.43115   0.45083   0.45835   0.45938
     Eigenvalues ---    0.46021   0.46033   0.46064   0.46130   0.46141
     Eigenvalues ---    0.46347   0.46394   0.46744   0.46762   0.46763
     Eigenvalues ---    0.46910   0.47106   0.48686   0.49787   0.53587
     Eigenvalues ---    0.55496   0.56045   0.60728   0.90382   0.90658
     Eigenvalues ---    0.942011000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-3.06457343D-02 EMin= 2.29949234D-03
 Quartic linear search produced a step of  0.91111.
 Iteration  1 RMS(Cart)=  0.22903989 RMS(Int)=  0.00576000
 Iteration  2 RMS(Cart)=  0.02597099 RMS(Int)=  0.00034300
 Iteration  3 RMS(Cart)=  0.00020640 RMS(Int)=  0.00033669
 Iteration  4 RMS(Cart)=  0.00000008 RMS(Int)=  0.00033669
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68527   0.00049   0.00475  -0.00514  -0.00039   2.68488
    R2        1.81420   0.00111   0.00025   0.00317   0.00343   1.81763
    R3        2.34667   0.01051   0.01735  -0.00332   0.01403   2.36070
    R4        2.36128   0.01886   0.03088  -0.00563   0.02525   2.38652
    R5        2.34682   0.01367   0.01898   0.00061   0.01959   2.36641
    R6        2.70941  -0.00430   0.00303  -0.02295  -0.01992   2.68949
    R7        2.61790   0.00443   0.01273  -0.00310   0.00964   2.62753
    R8        2.75709  -0.01494  -0.04634  -0.00344  -0.04978   2.70731
    R9        2.76800  -0.01608  -0.04227  -0.01620  -0.05852   2.70948
   R10        2.63408   0.01294   0.02759   0.00717   0.03465   2.66873
   R11        2.74805  -0.00903  -0.02016  -0.01187  -0.03203   2.71602
   R12        2.57400   0.01459   0.03441  -0.00463   0.02978   2.60377
   R13        1.89867  -0.00767  -0.00907  -0.01569  -0.02476   1.87391
   R14        2.74670  -0.00945  -0.03023   0.00105  -0.02918   2.71752
   R15        2.56984   0.01093   0.02340   0.00047   0.02387   2.59371
   R16        1.89796  -0.00556  -0.01052  -0.00550  -0.01601   1.88195
   R17        2.60818   0.01691   0.04160  -0.00326   0.03827   2.64645
   R18        2.74457  -0.01183  -0.02392  -0.01928  -0.04315   2.70142
   R19        1.89613  -0.00902  -0.01053  -0.01860  -0.02913   1.86700
   R20        2.92364  -0.00896  -0.01789  -0.02678  -0.04467   2.87897
   R21        2.90860  -0.00210  -0.01657   0.01386  -0.00271   2.90589
   R22        2.09743   0.01628   0.03019   0.03404   0.06423   2.16166
   R23        2.92224  -0.00564  -0.02906   0.01142  -0.01764   2.90460
   R24        2.93521   0.00445   0.02065  -0.00664   0.01402   2.94922
   R25        2.09469   0.01645   0.03151   0.03235   0.06386   2.15854
   R26        2.91251  -0.01290  -0.02175  -0.04430  -0.06605   2.84646
   R27        2.08864   0.01242   0.02509   0.02250   0.04759   2.13624
   R28        2.08785   0.01229   0.02362   0.02420   0.04782   2.13567
   R29        2.92190   0.00243  -0.01572   0.04035   0.02463   2.94652
   R30        2.09672   0.01510   0.03214   0.02488   0.05702   2.15373
   R31        2.88235  -0.00944  -0.03357  -0.00280  -0.03637   2.84598
   R32        2.88446  -0.00674  -0.02327  -0.00264  -0.02591   2.85855
   R33        2.08944   0.01404   0.02543   0.03001   0.05544   2.14488
   R34        2.91812  -0.00475  -0.02271   0.00718  -0.01554   2.90258
   R35        2.09650   0.01517   0.02809   0.03197   0.06006   2.15656
   R36        2.84455  -0.01193  -0.03479  -0.01253  -0.04733   2.79722
   R37        2.08976   0.01220   0.02466   0.02223   0.04689   2.13665
   R38        2.08706   0.01203   0.02373   0.02267   0.04641   2.13347
   R39        2.89919  -0.00118   0.00108  -0.01320  -0.01201   2.88718
   R40        2.09077   0.01480   0.02871   0.02849   0.05719   2.14796
   R41        2.08819   0.01409   0.02717   0.02726   0.05443   2.14262
   R42        2.89786   0.00037   0.00793  -0.01248  -0.00451   2.89335
   R43        2.08485   0.01010   0.02252   0.01495   0.03747   2.12232
   R44        2.08999   0.01074   0.02362   0.01671   0.04033   2.13032
   R45        2.84450  -0.01276  -0.03517  -0.01670  -0.05187   2.79263
   R46        2.08874   0.01254   0.02464   0.02383   0.04847   2.13722
   R47        2.08758   0.01243   0.02431   0.02375   0.04806   2.13564
   R48        2.08364   0.01011   0.02168   0.01629   0.03797   2.12161
   R49        2.08479   0.00985   0.02099   0.01621   0.03720   2.12199
   R50        2.08360   0.01040   0.02178   0.01756   0.03933   2.12294
   R51        2.08453   0.00984   0.02133   0.01560   0.03693   2.12146
   R52        2.08297   0.01001   0.02176   0.01559   0.03735   2.12032
   R53        2.08339   0.01019   0.02183   0.01644   0.03827   2.12166
   R54        2.08776   0.01234   0.02536   0.02159   0.04695   2.13471
   R55        2.09096   0.01372   0.02714   0.02575   0.05289   2.14385
   R56        2.64127   0.00082  -0.00055   0.00401   0.00347   2.64473
   R57        2.64259   0.00069  -0.00084   0.00394   0.00311   2.64570
   R58        2.64135   0.00131   0.00087   0.00382   0.00470   2.64605
   R59        2.64212   0.00057  -0.00082   0.00352   0.00271   2.64483
   R60        2.91302  -0.00871   0.00968  -0.06635  -0.05667   2.85635
   R61        2.63691   0.00038   0.00443  -0.00519  -0.00077   2.63614
   R62        2.05855   0.00743   0.01521   0.01213   0.02734   2.08589
   R63        2.63628   0.00062   0.00467  -0.00465   0.00002   2.63630
   R64        2.05912   0.00748   0.01534   0.01218   0.02753   2.08665
   R65        2.63595   0.00077   0.00566  -0.00552   0.00014   2.63608
   R66        2.05899   0.00724   0.01494   0.01167   0.02661   2.08560
   R67        2.63611   0.00097   0.00572  -0.00495   0.00078   2.63689
   R68        2.05818   0.00763   0.01558   0.01248   0.02806   2.08623
   R69        2.08801   0.01248   0.02517   0.02264   0.04781   2.13583
   R70        2.08948   0.01053   0.02302   0.01661   0.03963   2.12911
   R71        2.63638   0.00019   0.00355  -0.00466  -0.00111   2.63527
   R72        2.05770   0.00752   0.01543   0.01215   0.02758   2.08528
   R73        2.63736  -0.00011   0.00321  -0.00526  -0.00206   2.63530
   R74        2.05748   0.00765   0.01566   0.01240   0.02806   2.08554
   R75        2.05795   0.00782   0.01659   0.01178   0.02837   2.08632
   R76        2.63723  -0.00006   0.00302  -0.00483  -0.00182   2.63540
   R77        2.05777   0.00739   0.01522   0.01189   0.02711   2.08488
   R78        2.63690  -0.00020   0.00312  -0.00554  -0.00243   2.63447
   R79        2.05721   0.00748   0.01539   0.01204   0.02742   2.08463
   R80        2.05863   0.00738   0.01568   0.01114   0.02683   2.08545
   R81        2.65946  -0.00397   0.00516  -0.02362  -0.01841   2.64105
   R82        2.65794   0.00086  -0.00304   0.00780   0.00484   2.66278
   R83        2.63998   0.00100  -0.00026   0.00388   0.00360   2.64358
   R84        2.83443  -0.01345  -0.03736  -0.01639  -0.05375   2.78068
   R85        2.63836   0.00113  -0.00235   0.00813   0.00579   2.64416
   R86        2.83370  -0.01285  -0.03753  -0.01268  -0.05021   2.78349
   R87        2.63453   0.00101   0.00303  -0.00060   0.00235   2.63689
   R88        2.05785   0.00783   0.01558   0.01341   0.02899   2.08684
   R89        2.63445   0.00100   0.00231   0.00075   0.00299   2.63744
   R90        2.05821   0.00778   0.01579   0.01286   0.02865   2.08686
   R91        2.08357   0.01055   0.02257   0.01698   0.03955   2.12312
   R92        2.08484   0.01104   0.02311   0.01860   0.04171   2.12655
   R93        2.08584   0.01039   0.02317   0.01540   0.03857   2.12440
   R94        2.08425   0.01019   0.02136   0.01723   0.03859   2.12284
   R95        2.08479   0.01061   0.02185   0.01855   0.04040   2.12519
   R96        2.08467   0.01081   0.02233   0.01878   0.04111   2.12578
   R97        2.05883   0.00723   0.01491   0.01167   0.02658   2.08540
    A1        1.89500  -0.00172   0.00139  -0.01939  -0.01800   1.87701
    A2        1.99963  -0.00539  -0.02167  -0.00045  -0.02212   1.97752
    A3        2.07492   0.00065  -0.00711   0.01222   0.00540   2.08032
    A4        2.06779   0.00363   0.00937   0.00501   0.01446   2.08224
    A5        2.12954  -0.00429  -0.00236  -0.01598  -0.01870   2.11084
    A6        2.16963  -0.00653  -0.01313  -0.02632  -0.03960   2.13003
    A7        2.03202   0.00359   0.00221   0.02480   0.02686   2.05888
    A8        2.08019   0.00299   0.01132   0.00268   0.01385   2.09405
    A9        2.19643  -0.00840  -0.01817  -0.03216  -0.05039   2.14603
   A10        2.01654   0.00397   0.00230   0.02599   0.02822   2.04476
   A11        2.07021   0.00444   0.01591   0.00624   0.02209   2.09229
   A12        2.16074  -0.01067  -0.02494  -0.03017  -0.05574   2.10499
   A13        2.04902   0.00384   0.01401  -0.00100   0.01325   2.06227
   A14        2.05728   0.00695   0.01176   0.03377   0.04573   2.10301
   A15        1.99712   0.00367   0.02144  -0.01001   0.01166   2.00879
   A16        1.94498   0.00236  -0.00011   0.02216   0.02201   1.96698
   A17        1.85951  -0.00212  -0.00867   0.00205  -0.00705   1.85246
   A18        1.94170  -0.00656  -0.02090  -0.02198  -0.04276   1.89894
   A19        1.85136  -0.00031  -0.00417  -0.00904  -0.01280   1.83856
   A20        1.85927   0.00306   0.01230   0.01864   0.03045   1.88973
   A21        1.99208   0.00512   0.00226   0.03316   0.03520   2.02727
   A22        1.89838  -0.00111  -0.00357  -0.01141  -0.01472   1.88367
   A23        1.92580  -0.00439  -0.01290  -0.03446  -0.04732   1.87849
   A24        1.91885  -0.00513  -0.00968  -0.02558  -0.03497   1.88388
   A25        1.85042   0.00088   0.00496   0.01193   0.01741   1.86783
   A26        1.87470   0.00469   0.02036   0.02679   0.04718   1.92189
   A27        2.06389   0.00019   0.01573  -0.03306  -0.01761   2.04628
   A28        1.89326  -0.00016  -0.00136   0.00357   0.00227   1.89553
   A29        1.86844  -0.00149  -0.01312  -0.00445  -0.01797   1.85047
   A30        1.90365   0.00036  -0.00135   0.01146   0.01010   1.91375
   A31        1.88066  -0.00096  -0.01113  -0.00005  -0.01168   1.86898
   A32        1.84136   0.00232   0.01092   0.02936   0.04037   1.88173
   A33        1.97200   0.00636   0.03274  -0.01418   0.01537   1.98737
   A34        1.88798  -0.00389  -0.02542  -0.00870  -0.03416   1.85383
   A35        1.86614   0.00194   0.01406   0.03843   0.05212   1.91826
   A36        1.95977  -0.00737  -0.03064  -0.02700  -0.05799   1.90177
   A37        1.89232   0.00003   0.00169   0.00288   0.00391   1.89624
   A38        1.88133   0.00335   0.00992   0.01322   0.02350   1.90483
   A39        1.96498  -0.00654  -0.01890  -0.04473  -0.06360   1.90138
   A40        1.93548   0.00163   0.00156   0.00448   0.00580   1.94128
   A41        1.90756   0.00063   0.00124  -0.00176  -0.00061   1.90695
   A42        1.90505   0.00255   0.00510   0.00916   0.01356   1.91861
   A43        1.87136   0.00184   0.00683   0.01303   0.01901   1.89037
   A44        1.87626   0.00016   0.00557   0.02315   0.02826   1.90452
   A45        1.92594   0.00301   0.00109   0.01612   0.01731   1.94325
   A46        1.96736   0.00375   0.01000   0.01171   0.02143   1.98880
   A47        1.88704  -0.00278  -0.00351  -0.01263  -0.01673   1.87030
   A48        1.95088  -0.00883  -0.02352  -0.04063  -0.06384   1.88704
   A49        1.85838   0.00195   0.00710   0.00461   0.01224   1.87062
   A50        1.86887   0.00296   0.00970   0.02136   0.03110   1.89997
   A51        1.97339  -0.00268  -0.01319  -0.00240  -0.01570   1.95769
   A52        1.93076  -0.00014   0.00057  -0.00573  -0.00499   1.92577
   A53        1.90994  -0.00266  -0.00776  -0.02907  -0.03686   1.87307
   A54        1.89692   0.00184   0.00628   0.01480   0.02090   1.91782
   A55        1.90053   0.00246   0.00785   0.00830   0.01535   1.91587
   A56        1.84786   0.00153   0.00801   0.01573   0.02326   1.87112
   A57        2.15670  -0.00585  -0.01412  -0.01549  -0.02974   2.12696
   A58        2.10505   0.00219   0.00101   0.01324   0.01413   2.11918
   A59        2.02048   0.00371   0.01339   0.00314   0.01641   2.03689
   A60        1.94223   0.00486   0.00727   0.01345   0.01974   1.96197
   A61        1.88851  -0.00083  -0.00334   0.01303   0.01023   1.89873
   A62        1.91518  -0.00313  -0.01141  -0.01593  -0.02709   1.88809
   A63        1.91434  -0.00244  -0.00218  -0.01426  -0.01596   1.89838
   A64        1.92491  -0.00052   0.00274  -0.00633  -0.00352   1.92139
   A65        1.87717   0.00195   0.00678   0.01025   0.01691   1.89407
   A66        1.89780   0.00019   0.00118  -0.00884  -0.00699   1.89081
   A67        1.91990  -0.00129  -0.00416  -0.00155  -0.00555   1.91434
   A68        1.92443   0.00037  -0.00046  -0.00154  -0.00265   1.92178
   A69        1.92850   0.00063   0.00164   0.00070   0.00192   1.93042
   A70        1.92720  -0.00112  -0.00301  -0.00345  -0.00654   1.92066
   A71        1.86612   0.00121   0.00477   0.01499   0.01990   1.88602
   A72        1.99867  -0.00102  -0.00722  -0.00023  -0.00744   1.99123
   A73        1.91564  -0.00177  -0.00449  -0.01687  -0.02133   1.89431
   A74        1.90819  -0.00283  -0.00962  -0.02333  -0.03296   1.87523
   A75        1.90237   0.00180   0.00605   0.01370   0.01949   1.92186
   A76        1.88595   0.00208   0.00758   0.01015   0.01727   1.90323
   A77        1.84673   0.00205   0.00939   0.01863   0.02728   1.87401
   A78        2.15744  -0.00916  -0.02194  -0.03113  -0.05311   2.10433
   A79        2.07334   0.00499   0.01420   0.00455   0.01884   2.09218
   A80        2.04932   0.00426   0.00816   0.02853   0.03618   2.08550
   A81        1.93596  -0.00055  -0.00403   0.00133  -0.00282   1.93314
   A82        1.92555  -0.00245  -0.01058  -0.00338  -0.01413   1.91142
   A83        1.94861  -0.00440  -0.01520  -0.01682  -0.03228   1.91633
   A84        1.88609   0.00181   0.00880   0.00393   0.01272   1.89880
   A85        1.89207   0.00230   0.00913   0.00334   0.01226   1.90432
   A86        1.87328   0.00369   0.01378   0.01265   0.02613   1.89940
   A87        1.93435  -0.00116  -0.00514  -0.00211  -0.00734   1.92701
   A88        1.94470  -0.00119  -0.00686   0.00169  -0.00522   1.93948
   A89        1.92976  -0.00275  -0.00996  -0.01006  -0.02015   1.90961
   A90        1.88623   0.00148   0.00710   0.00371   0.01079   1.89702
   A91        1.88799   0.00181   0.00730   0.00274   0.00989   1.89788
   A92        1.87872   0.00208   0.00888   0.00455   0.01332   1.89204
   A93        1.88949   0.00752   0.01644   0.03795   0.05532   1.94481
   A94        1.90804  -0.00337  -0.00881  -0.00451  -0.01316   1.89487
   A95        1.90640  -0.00016  -0.00109   0.00528   0.00431   1.91071
   A96        1.94254  -0.00129  -0.00110  -0.01130  -0.01305   1.92949
   A97        1.93303  -0.00479  -0.01097  -0.03047  -0.04180   1.89123
   A98        1.88408   0.00202   0.00523   0.00314   0.00792   1.89200
   A99        2.09230   0.00059  -0.00009   0.00407   0.00394   2.09624
   A100       2.09526   0.00100  -0.00015   0.00688   0.00670   2.10196
   A101       2.09560  -0.00158   0.00026  -0.01088  -0.01063   2.08497
   A102       2.09338   0.00132   0.00132   0.00664   0.00783   2.10121
   A103       2.09444   0.00055  -0.00063   0.00465   0.00389   2.09833
   A104       2.09533  -0.00186  -0.00064  -0.01110  -0.01180   2.08353
   A105       2.14451   0.00205  -0.00722   0.02554   0.01830   2.16281
   A106       2.06497  -0.00084  -0.01463   0.01841   0.00376   2.06873
   A107       2.07359  -0.00121   0.02192  -0.04386  -0.02196   2.05163
   A108       2.09343   0.00060   0.00010   0.00420   0.00431   2.09774
   A109       2.09891  -0.00096  -0.00214  -0.00478  -0.00693   2.09198
   A110       2.09084   0.00036   0.00204   0.00059   0.00263   2.09347
   A111       2.09363   0.00048  -0.00011   0.00370   0.00359   2.09722
   A112       2.10019  -0.00054  -0.00145  -0.00211  -0.00359   2.09660
   A113       2.08936   0.00006   0.00156  -0.00156  -0.00003   2.08934
   A114       2.09379   0.00059   0.00027   0.00398   0.00428   2.09807
   A115       2.09765  -0.00093  -0.00217  -0.00455  -0.00673   2.09092
   A116       2.09171   0.00034   0.00190   0.00058   0.00246   2.09417
   A117       2.09368   0.00070   0.00044   0.00441   0.00488   2.09856
   A118       2.10079  -0.00122  -0.00305  -0.00565  -0.00873   2.09206
   A119       2.08870   0.00052   0.00262   0.00127   0.00387   2.09256
   A120       1.95554  -0.00666   0.02786  -0.10507  -0.07798   1.87756
   A121       1.88476   0.00103  -0.01351   0.02570   0.01216   1.89693
   A122       1.96126   0.00127  -0.01108   0.01623   0.00358   1.96485
   A123       1.88950   0.00110  -0.01518   0.03496   0.01965   1.90915
   A124       1.88832   0.00120   0.00292  -0.00408  -0.00227   1.88605
   A125       1.88189   0.00238   0.00803   0.03872   0.04622   1.92811
   A126       2.09145   0.00103   0.00208   0.00386   0.00593   2.09738
   A127       2.09527  -0.00057  -0.00108  -0.00237  -0.00345   2.09182
   A128       2.09646  -0.00046  -0.00099  -0.00149  -0.00248   2.09398
   A129       2.09103   0.00114   0.00232   0.00425   0.00658   2.09761
   A130       2.09511  -0.00059  -0.00110  -0.00245  -0.00356   2.09155
   A131       2.09704  -0.00055  -0.00122  -0.00180  -0.00303   2.09402
   A132       2.10122  -0.00167  -0.00465  -0.00513  -0.00978   2.09144
   A133       2.09160   0.00079   0.00224   0.00233   0.00457   2.09617
   A134       2.09036   0.00087   0.00241   0.00280   0.00521   2.09557
   A135       2.09146   0.00108   0.00217   0.00406   0.00623   2.09768
   A136       2.09581  -0.00065  -0.00113  -0.00304  -0.00417   2.09165
   A137       2.09591  -0.00043  -0.00104  -0.00102  -0.00206   2.09385
   A138       2.09139   0.00108   0.00233   0.00359   0.00592   2.09732
   A139       2.09624  -0.00062  -0.00116  -0.00256  -0.00372   2.09253
   A140       2.09555  -0.00046  -0.00117  -0.00104  -0.00220   2.09334
   A141       2.10072  -0.00159  -0.00456  -0.00493  -0.00951   2.09121
   A142       2.09104   0.00082   0.00232   0.00259   0.00492   2.09596
   A143       2.09143   0.00078   0.00224   0.00234   0.00459   2.09602
   A144       2.09522  -0.00845   0.01660  -0.08328  -0.06694   2.02828
   A145       2.09667   0.00307  -0.01910   0.05189   0.03238   2.12905
   A146       2.09073   0.00532   0.00222   0.03042   0.03255   2.12328
   A147       2.08726  -0.00267  -0.00458  -0.01155  -0.01608   2.07118
   A148       2.12132  -0.00319   0.01015  -0.03717  -0.02705   2.09427
   A149       2.07460   0.00585  -0.00556   0.04873   0.04313   2.11773
   A150       2.09059  -0.00336   0.00218  -0.02574  -0.02341   2.06718
   A151       2.11154   0.00000  -0.00623   0.01007   0.00376   2.11529
   A152       2.08103   0.00336   0.00405   0.01564   0.01961   2.10064
   A153       2.10257   0.00028   0.00214  -0.00183   0.00023   2.10281
   A154       2.09601  -0.00129  -0.00444  -0.00429  -0.00870   2.08731
   A155       2.08460   0.00101   0.00231   0.00612   0.00846   2.09306
   A156       2.10025  -0.00014  -0.00181   0.00338   0.00157   2.10182
   A157       2.09725  -0.00110  -0.00256  -0.00695  -0.00951   2.08774
   A158       2.08567   0.00124   0.00437   0.00357   0.00794   2.09361
   A159       1.93785  -0.00101  -0.00809   0.00803  -0.00007   1.93777
   A160       1.91960  -0.00065  -0.00475  -0.00012  -0.00496   1.91463
   A161       1.93094  -0.00155  -0.00480  -0.00770  -0.01258   1.91837
   A162       1.88940   0.00107   0.00418   0.00534   0.00949   1.89889
   A163       1.88233   0.00197   0.00637   0.01231   0.01867   1.90100
   A164       1.90264   0.00029   0.00788  -0.01790  -0.01017   1.89247
   A165       1.93836  -0.00146  -0.00749   0.00062  -0.00690   1.93147
   A166       1.92921  -0.00153  -0.00806  -0.00063  -0.00874   1.92047
   A167       1.91906  -0.00045  -0.00462   0.00256  -0.00210   1.91696
   A168       1.88517   0.00201   0.00970   0.00491   0.01457   1.89975
   A169       1.89221   0.00105   0.00693  -0.00189   0.00501   1.89721
   A170       1.89879   0.00050   0.00442  -0.00571  -0.00135   1.89744
   A171       2.09436   0.00058  -0.00018   0.00572   0.00543   2.09979
   A172       2.09431  -0.00026   0.00026  -0.00292  -0.00261   2.09170
   A173       2.09447  -0.00031  -0.00009  -0.00274  -0.00278   2.09168
    D1       -0.95985  -0.00500  -0.02662  -0.03373  -0.06151  -1.02136
    D2       -3.14061   0.00298   0.00860   0.01749   0.02628  -3.11433
    D3        1.12059   0.00002   0.00221  -0.01327  -0.01009   1.11051
    D4        2.40564  -0.00033   0.02985  -0.10242  -0.07234   2.33331
    D5       -1.79821  -0.00228   0.01939  -0.10551  -0.08626  -1.88446
    D6        0.27516   0.00209   0.01364  -0.03134  -0.01780   0.25736
    D7       -1.97060  -0.00037  -0.02169   0.05320   0.03203  -1.93858
    D8        1.20707   0.00125  -0.01133   0.08362   0.07178   1.27885
    D9        0.81257  -0.00199  -0.00585  -0.00018  -0.00574   0.80683
   D10       -1.33702   0.00194   0.00789   0.01854   0.02680  -1.31022
   D11        2.89393  -0.00056  -0.00725   0.01273   0.00521   2.89914
   D12       -2.17390  -0.00152  -0.00499  -0.00755  -0.01250  -2.18640
   D13        1.95969   0.00241   0.00876   0.01117   0.02005   1.97974
   D14       -0.09254  -0.00009  -0.00638   0.00537  -0.00155  -0.09409
   D15        2.75906   0.00035   0.00093   0.00045   0.00057   2.75963
   D16       -1.41976  -0.00023   0.00054  -0.00052  -0.00019  -1.41995
   D17        0.62369  -0.00010   0.00038   0.01039   0.01070   0.63438
   D18       -0.54339   0.00061   0.00109   0.01015   0.01056  -0.53283
   D19        1.56098   0.00004   0.00069   0.00919   0.00980   1.57078
   D20       -2.67876   0.00017   0.00053   0.02009   0.02069  -2.65807
   D21       -0.04921   0.00058   0.00143   0.00686   0.00732  -0.04188
   D22       -3.10512  -0.00085  -0.00511  -0.02045  -0.02608  -3.13120
   D23       -3.03058   0.00058   0.00272  -0.00346  -0.00187  -3.03245
   D24        0.19669  -0.00085  -0.00381  -0.03077  -0.03528   0.16142
   D25       -1.23675  -0.00177  -0.00685  -0.00582  -0.01271  -1.24946
   D26        2.82458   0.00217   0.00408   0.01369   0.01758   2.84216
   D27        0.80322  -0.00148  -0.00553  -0.02126  -0.02667   0.77655
   D28        1.84872  -0.00051   0.00144   0.01889   0.02035   1.86907
   D29       -0.37314   0.00343   0.01237   0.03840   0.05064  -0.32250
   D30       -2.39450  -0.00022   0.00276   0.00345   0.00640  -2.38810
   D31       -0.05759   0.00143   0.00621   0.03140   0.03782  -0.01977
   D32        3.03727   0.00256   0.01273   0.05355   0.06598   3.10325
   D33        3.14158   0.00013  -0.00196   0.00542   0.00376  -3.13784
   D34       -0.04675   0.00126   0.00456   0.02757   0.03192  -0.01483
   D35       -2.31784  -0.00102  -0.00103   0.04616   0.04507  -2.27278
   D36        1.77055   0.00545   0.02163   0.07842   0.09996   1.87051
   D37       -0.29183   0.00136   0.00605   0.05324   0.05943  -0.23240
   D38        0.82889  -0.00186  -0.00723   0.03195   0.02467   0.85356
   D39       -1.36590   0.00461   0.01543   0.06421   0.07956  -1.28634
   D40        2.85490   0.00052  -0.00015   0.03903   0.03903   2.89393
   D41        0.01614   0.00122   0.00568   0.02423   0.02994   0.04608
   D42       -3.10928   0.00072   0.00088   0.01831   0.01915  -3.09013
   D43       -3.13074   0.00208   0.01196   0.03888   0.05088  -3.07985
   D44        0.02703   0.00158   0.00716   0.03296   0.04009   0.06712
   D45        2.93472   0.00218   0.00769   0.03066   0.03694   2.97167
   D46       -0.28828   0.00282   0.01192   0.05471   0.06645  -0.22183
   D47       -0.01024   0.00061   0.00107   0.01105   0.01142   0.00118
   D48        3.04995   0.00125   0.00530   0.03509   0.04093   3.09087
   D49        0.69712  -0.00272  -0.01141  -0.04298  -0.05376   0.64336
   D50        2.81596  -0.00172  -0.00791  -0.03622  -0.04359   2.77238
   D51       -1.40920  -0.00133  -0.00736  -0.03198  -0.03919  -1.44839
   D52       -2.64198  -0.00147  -0.00455  -0.02695  -0.03137  -2.67335
   D53       -0.52313  -0.00047  -0.00105  -0.02019  -0.02120  -0.54433
   D54        1.53490  -0.00008  -0.00049  -0.01595  -0.01681   1.51809
   D55       -1.10101  -0.00210  -0.01424  -0.02456  -0.03873  -1.13974
   D56        1.07708  -0.00160  -0.00519  -0.03139  -0.03656   1.04052
   D57        3.05639   0.00027   0.00027   0.00211   0.00224   3.05864
   D58        1.12253  -0.00147  -0.01434  -0.02144  -0.03593   1.08660
   D59       -2.98257  -0.00097  -0.00528  -0.02828  -0.03376  -3.01633
   D60       -1.00326   0.00090   0.00018   0.00523   0.00505  -0.99821
   D61        3.13753  -0.00133  -0.01280  -0.01556  -0.02802   3.10951
   D62       -0.96757  -0.00084  -0.00375  -0.02240  -0.02584  -0.99342
   D63        1.01174   0.00104   0.00172   0.01111   0.01296   1.02470
   D64       -0.98757   0.00003   0.00404  -0.02237  -0.01839  -1.00595
   D65        1.14459   0.00040   0.00320  -0.00908  -0.00611   1.13848
   D66       -3.10921   0.00060   0.00867  -0.01055  -0.00233  -3.11155
   D67        3.04404  -0.00148  -0.00773  -0.00896  -0.01666   3.02738
   D68       -1.10699  -0.00110  -0.00857   0.00433  -0.00439  -1.11138
   D69        0.92240  -0.00091  -0.00310   0.00286  -0.00061   0.92179
   D70        1.03394   0.00050   0.00077   0.00240   0.00375   1.03769
   D71       -3.11710   0.00088  -0.00008   0.01569   0.01603  -3.10107
   D72       -1.08771   0.00107   0.00539   0.01422   0.01981  -1.06790
   D73       -3.07774   0.00042  -0.00115  -0.00144  -0.00234  -3.08007
   D74        1.06527   0.00061   0.00477   0.01552   0.02033   1.08560
   D75       -1.00017  -0.00097  -0.00376  -0.01453  -0.01783  -1.01800
   D76       -0.93928  -0.00128  -0.01165  -0.01215  -0.02386  -0.96314
   D77       -3.07947  -0.00109  -0.00573   0.00482  -0.00118  -3.08065
   D78        1.13828  -0.00267  -0.01426  -0.02524  -0.03935   1.09893
   D79        1.08197   0.00217   0.01017   0.01309   0.02308   1.10505
   D80       -1.05821   0.00235   0.01609   0.03006   0.04575  -1.01246
   D81       -3.12364   0.00078   0.00756   0.00000   0.00758  -3.11606
   D82        1.45795   0.00278   0.00589   0.04493   0.05141   1.50937
   D83       -1.63839   0.00192   0.00010   0.02431   0.02465  -1.61374
   D84       -0.73494   0.00057   0.01218   0.02832   0.04038  -0.69456
   D85        2.45190  -0.00029   0.00640   0.00770   0.01362   2.46552
   D86       -2.74082  -0.00040   0.00013   0.01276   0.01295  -2.72787
   D87        0.44602  -0.00126  -0.00566  -0.00786  -0.01381   0.43221
   D88        1.15849   0.00621   0.03874   0.06873   0.10775   1.26624
   D89       -2.98345   0.00023   0.00691   0.02574   0.03220  -2.95125
   D90       -0.90676  -0.00008   0.00148   0.02761   0.02904  -0.87772
   D91       -1.01449   0.00597   0.02957   0.07967   0.10961  -0.90488
   D92        1.12677  -0.00002  -0.00227   0.03668   0.03405   1.16082
   D93       -3.07973  -0.00032  -0.00770   0.03855   0.03090  -3.04883
   D94       -3.00514   0.00356   0.02325   0.03948   0.06314  -2.94200
   D95       -0.86388  -0.00242  -0.00859  -0.00351  -0.01242  -0.87630
   D96        1.21280  -0.00273  -0.01401  -0.00164  -0.01557   1.19723
   D97       -1.03720  -0.00135  -0.00181  -0.04689  -0.04774  -1.08494
   D98        1.16687  -0.00075  -0.00571  -0.04973  -0.05442   1.11246
   D99       -3.08104  -0.00072  -0.00222  -0.04292  -0.04408  -3.12512
   D100       3.05799  -0.00154  -0.00283  -0.00357  -0.00754   3.05045
   D101      -1.02113  -0.00094  -0.00673  -0.00641  -0.01421  -1.03534
   D102       1.01415  -0.00091  -0.00323   0.00040  -0.00388   1.01027
   D103       0.97486   0.00066   0.00699   0.00043   0.00744   0.98230
   D104      -3.10425   0.00125   0.00309  -0.00241   0.00076  -3.10349
   D105      -1.06898   0.00129   0.00658   0.00439   0.01110  -1.05788
   D106      -0.95660  -0.00035   0.00102  -0.00359  -0.00276  -0.95936
   D107      -3.04597  -0.00067  -0.00043  -0.00717  -0.00766  -3.05363
   D108       1.15572  -0.00082  -0.00067  -0.00993  -0.01077   1.14495
   D109       1.20059  -0.00093  -0.00641  -0.02216  -0.02867   1.17191
   D110      -0.88878  -0.00124  -0.00786  -0.02573  -0.03357  -0.92235
   D111      -2.97028  -0.00140  -0.00810  -0.02850  -0.03668  -3.00696
   D112      -3.05516   0.00157   0.00631   0.01685   0.02331  -3.03184
   D113       1.13866   0.00126   0.00486   0.01328   0.01842   1.15708
   D114      -0.94284   0.00110   0.00462   0.01052   0.01531  -0.92753
   D115       1.03907  -0.00226  -0.00806  -0.02004  -0.02835   1.01072
   D116      -1.06207  -0.00256  -0.00891  -0.02444  -0.03355  -1.09563
   D117       3.13253  -0.00256  -0.00887  -0.02458  -0.03365   3.09888
   D118      -1.13550   0.00313   0.01132   0.02730   0.03881  -1.09669
   D119       3.04654   0.00284   0.01046   0.02290   0.03361   3.08015
   D120       0.95796   0.00284   0.01050   0.02276   0.03350   0.99147
   D121       3.12338  -0.00045  -0.00226  -0.00533  -0.00762   3.11576
   D122       1.02223  -0.00074  -0.00311  -0.00973  -0.01282   1.00941
   D123      -1.06635  -0.00075  -0.00307  -0.00987  -0.01293  -1.07927
   D124      -0.82931  -0.00043  -0.00696  -0.00625  -0.01338  -0.84269
   D125       1.31666  -0.00018  -0.00777  -0.00148  -0.00951   1.30715
   D126      -2.94814  -0.00031  -0.00450  -0.00179  -0.00656  -2.95470
   D127      -3.01057  -0.00041   0.00237  -0.00480  -0.00251  -3.01307
   D128      -0.86460  -0.00016   0.00156  -0.00004   0.00136  -0.86324
   D129       1.15378  -0.00028   0.00483  -0.00035   0.00432   1.15810
   D130       1.24370   0.00024   0.00057  -0.00118  -0.00018   1.24352
   D131      -2.89352   0.00049  -0.00024   0.00359   0.00369  -2.88983
   D132      -0.87514   0.00036   0.00303   0.00328   0.00664  -0.86849
   D133      -1.50705   0.00098   0.00303   0.01712   0.02018  -1.48687
   D134       1.62704   0.00140   0.00504   0.02797   0.03311   1.66015
   D135       2.62516   0.00165   0.00670   0.01530   0.02225   2.64741
   D136      -0.52393   0.00207   0.00871   0.02615   0.03518  -0.48876
   D137       0.61989  -0.00245  -0.01009  -0.01564  -0.02611   0.59378
   D138      -2.52920  -0.00203  -0.00808  -0.00479  -0.01318  -2.54238
   D139       0.92555  -0.00078  -0.00228  -0.01105  -0.01299   0.91256
   D140       3.03958  -0.00068  -0.00208  -0.01671  -0.01836   3.02123
   D141      -1.18969   0.00024   0.00096  -0.00021   0.00104  -1.18865
   D142      -1.16354  -0.00123  -0.00132  -0.02651  -0.02771  -1.19125
   D143       0.95049  -0.00114  -0.00111  -0.03217  -0.03308   0.91741
   D144       3.00441  -0.00021   0.00193  -0.01567  -0.01368   2.99072
   D145       3.05529  -0.00182  -0.00993  -0.02651  -0.03655   3.01874
   D146      -1.11386  -0.00172  -0.00973  -0.03217  -0.04192  -1.15578
   D147       0.94006  -0.00080  -0.00669  -0.01567  -0.02252   0.91753
   D148      -0.97833  -0.00101  -0.00131   0.01342   0.01310  -0.96523
   D149      -3.07574  -0.00090  -0.00031   0.00147   0.00164  -3.07411
   D150       1.11134   0.00063   0.00121   0.02543   0.02666   1.13800
   D151      -3.08708   0.00007   0.00205   0.02053   0.02318  -3.06390
   D152       1.09870   0.00018   0.00305   0.00858   0.01172   1.11041
   D153      -0.99741   0.00171   0.00457   0.03254   0.03674  -0.96067
   D154       1.13521  -0.00112  -0.00299   0.00372   0.00147   1.13667
   D155      -0.96220  -0.00100  -0.00200  -0.00823  -0.00999  -0.97220
   D156      -3.05831   0.00052  -0.00047   0.01574   0.01503  -3.04328
   D157      -1.35543  -0.00008  -0.00021  -0.00909  -0.00935  -1.36478
   D158       1.77654   0.00076   0.00381   0.01240   0.01632   1.79286
   D159       2.77464   0.00158   0.00614   0.00259   0.00894   2.78358
   D160      -0.37657   0.00242   0.01016   0.02408   0.03461  -0.34196
   D161       0.77556  -0.00286  -0.01180  -0.03175  -0.04396   0.73160
   D162      -2.37565  -0.00202  -0.00778  -0.01026  -0.01829  -2.39394
   D163       3.13353   0.00040   0.00210   0.00892   0.01098  -3.13868
   D164      -0.00567   0.00031   0.00151   0.00762   0.00910   0.00343
   D165      -0.00056  -0.00003   0.00009  -0.00201  -0.00190  -0.00246
   D166      -3.13976  -0.00012  -0.00050  -0.00331  -0.00377   3.13965
   D167      -3.13278  -0.00046  -0.00237  -0.01025  -0.01260   3.13781
   D168       0.00444   0.00000  -0.00035   0.00009  -0.00025   0.00420
   D169       0.00130  -0.00003  -0.00035   0.00068   0.00031   0.00161
   D170       3.13852   0.00043   0.00166   0.01102   0.01266  -3.13200
   D171       3.12826   0.00088   0.00410   0.02075   0.02481  -3.13011
   D172      -0.00315   0.00082   0.00372   0.02006   0.02374   0.02058
   D173      -0.00371   0.00003   0.00007  -0.00084  -0.00072  -0.00443
   D174      -3.13513  -0.00003  -0.00031  -0.00153  -0.00180  -3.13693
   D175      -3.12791  -0.00094  -0.00437  -0.02193  -0.02621   3.12907
   D176       0.00756  -0.00066  -0.00293  -0.01673  -0.01959  -0.01203
   D177       0.00406  -0.00008  -0.00033  -0.00032  -0.00069   0.00337
   D178       3.13953   0.00020   0.00112   0.00488   0.00592  -3.13773
   D179       2.72880   0.00021  -0.00354   0.02123   0.01713   2.74593
   D180       0.65226   0.00223   0.00585   0.03010   0.03615   0.68841
   D181      -1.38276  -0.00181   0.00288  -0.03204  -0.02873  -1.41149
   D182      -0.42822   0.00072   0.00111   0.02698   0.02748  -0.40074
   D183      -2.50476   0.00274   0.01050   0.03585   0.04650  -2.45826
   D184       1.74340  -0.00130   0.00753  -0.02629  -0.01838   1.72502
   D185      -0.00007   0.00002   0.00000   0.00116   0.00115   0.00108
   D186      -3.14101  -0.00002  -0.00017   0.00006  -0.00012  -3.14113
   D187       3.13914   0.00011   0.00058   0.00244   0.00302  -3.14103
   D188      -0.00180   0.00007   0.00041   0.00134   0.00175  -0.00005
   D189      -0.00140   0.00009   0.00052   0.00149   0.00203   0.00062
   D190       3.13992   0.00016   0.00076   0.00324   0.00401  -3.13925
   D191      -3.13865  -0.00037  -0.00147  -0.00879  -0.01026   3.13427
   D192       0.00267  -0.00030  -0.00124  -0.00704  -0.00828  -0.00561
   D193       0.00096   0.00003   0.00012   0.00130   0.00142   0.00238
   D194      -3.13696   0.00006   0.00030   0.00176   0.00204  -3.13492
   D195       3.13241   0.00008   0.00048   0.00196   0.00244   3.13486
   D196      -0.00551   0.00012   0.00065   0.00242   0.00307  -0.00244
   D197      -0.00166   0.00008   0.00039   0.00100   0.00142  -0.00025
   D198       3.13769   0.00012   0.00056   0.00224   0.00282   3.14051
   D199      -3.13718  -0.00019  -0.00102  -0.00414  -0.00516   3.14085
   D200       0.00218  -0.00015  -0.00085  -0.00289  -0.00375  -0.00157
   D201      -0.00004   0.00004   0.00017   0.00103   0.00120   0.00116
   D202      -3.14071  -0.00006  -0.00024  -0.00161  -0.00185   3.14063
   D203       3.14090   0.00008   0.00034   0.00213   0.00247  -3.13982
   D204       0.00023  -0.00002  -0.00007  -0.00050  -0.00058  -0.00035
   D205       0.00078  -0.00010  -0.00044  -0.00236  -0.00279  -0.00201
   D206       3.14145   0.00000  -0.00002   0.00028   0.00026  -3.14148
   D207      -3.14055  -0.00017  -0.00067  -0.00411  -0.00478   3.13786
   D208       0.00012  -0.00006  -0.00026  -0.00148  -0.00173  -0.00161
   D209       0.00144  -0.00003  -0.00007  -0.00059  -0.00067   0.00077
   D210      -3.14004   0.00001   0.00010  -0.00003   0.00008  -3.13997
   D211       3.13936  -0.00006  -0.00024  -0.00105  -0.00130   3.13806
   D212      -0.00212  -0.00002  -0.00007  -0.00049  -0.00056  -0.00268
   D213      -0.00109  -0.00002  -0.00019  -0.00056  -0.00075  -0.00184
   D214       3.14040  -0.00007  -0.00036  -0.00112  -0.00149   3.13890
   D215      -3.14044  -0.00007  -0.00036  -0.00180  -0.00215   3.14059
   D216       0.00104  -0.00011  -0.00053  -0.00237  -0.00290  -0.00185
   D217      -3.14025   0.00197   0.01041   0.04308   0.05267  -3.08758
   D218       0.00158   0.00174   0.00648   0.04651   0.05230   0.05388
   D219      -0.03462   0.00031  -0.00022   0.01322   0.01307  -0.02155
   D220       3.10721   0.00008  -0.00416   0.01665   0.01270   3.11991
   D221      -3.14076  -0.00209  -0.00946  -0.04374  -0.05416   3.08827
   D222       0.00975  -0.00201  -0.00999  -0.03899  -0.04992  -0.04016
   D223       0.03682  -0.00019   0.00068  -0.01103  -0.01021   0.02661
   D224      -3.09585  -0.00011   0.00014  -0.00628  -0.00598  -3.10182
   D225       0.01016  -0.00033  -0.00059  -0.00803  -0.00869   0.00147
   D226      -3.13131  -0.00019  -0.00105  -0.00315  -0.00415  -3.13546
   D227      -3.13166  -0.00010   0.00328  -0.01138  -0.00832  -3.13998
   D228       0.01005   0.00003   0.00282  -0.00650  -0.00379   0.00627
   D229      -2.85608   0.00003   0.00206  -0.00221  -0.00020  -2.85629
   D230       1.33626  -0.00024   0.00519  -0.01393  -0.00875   1.32751
   D231      -0.76666   0.00082   0.00155   0.01343   0.01486  -0.75180
   D232       0.28574  -0.00020  -0.00185   0.00121  -0.00058   0.28517
   D233      -1.80509  -0.00047   0.00128  -0.01052  -0.00913  -1.81422
   D234       2.37517   0.00059  -0.00236   0.01684   0.01449   2.38965
   D235      -0.01452   0.00008  -0.00018   0.00337   0.00285  -0.01167
   D236       3.13237   0.00008  -0.00039   0.00363   0.00313   3.13549
   D237       3.11831  -0.00001   0.00030  -0.00132  -0.00143   3.11688
   D238      -0.01799  -0.00001   0.00008  -0.00106  -0.00115  -0.01915
   D239       2.74835   0.00008   0.00050  -0.00126  -0.00083   2.74752
   D240       0.65616  -0.00049  -0.00140  -0.00741  -0.00886   0.64730
   D241      -1.44051   0.00016   0.00128  -0.00156  -0.00036  -1.44087
   D242      -0.38437   0.00019  -0.00003   0.00367   0.00371  -0.38066
   D243      -2.47656  -0.00038  -0.00193  -0.00248  -0.00433  -2.48089
   D244       1.70995   0.00027   0.00076   0.00338   0.00418   1.71414
   D245       0.01224   0.00008   0.00097  -0.00038   0.00077   0.01301
   D246      -3.14041   0.00027   0.00085   0.00599   0.00693  -3.13347
   D247      -3.12947  -0.00006   0.00143  -0.00523  -0.00378  -3.13325
   D248       0.00106   0.00014   0.00130   0.00115   0.00239   0.00345
   D249      -0.01005   0.00007  -0.00063   0.00292   0.00233  -0.00773
   D250      -3.14059  -0.00012  -0.00051  -0.00346  -0.00384   3.13876
   D251       3.12628   0.00007  -0.00044   0.00263   0.00200   3.12828
   D252      -0.00426  -0.00013  -0.00032  -0.00375  -0.00417  -0.00842
         Item               Value     Threshold  Converged?
 Maximum Force            0.018864     0.000450     NO 
 RMS     Force            0.004628     0.000300     NO 
 Maximum Displacement     1.061536     0.001800     NO 
 RMS     Displacement     0.246501     0.001200     NO 
 Predicted change in Energy=-2.691643D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.095571    0.044660   -0.198964
      2          8           0       -3.506900    0.344229    2.113590
      3          8           0       -2.938120    2.610218   -2.171354
      4          8           0        3.397272   -3.410316    0.433386
      5          8           0        4.066538   -0.891794   -1.904042
      6          7           0       -2.909313    2.719621    0.150409
      7          7           0       -3.159205   -0.489953    0.001782
      8          7           0        2.357353   -1.378064    0.034967
      9          7           0       -1.308474    3.933068   -1.216219
     10          6           0       -2.649260   -1.752836    0.460896
     11          6           0       -4.037882    1.841848    0.241660
     12          6           0       -1.255632   -1.702453    1.074309
     13          6           0       -0.114877   -1.328725    0.164424
     14          6           0       -5.228481    2.352801    1.068654
     15          6           0        1.231676   -1.603206    0.901079
     16          6           0       -2.670838   -2.834261   -0.632116
     17          6           0       -3.553104    0.500393    0.875023
     18          6           0       -2.417413    3.352216    1.339369
     19          6           0       -0.962764    3.798860    1.202381
     20          6           0        1.254315   -0.760233    2.184871
     21          6           0       -2.419200    3.085275   -1.122572
     22          6           0       -6.279867    1.276191    1.128763
     23          6           0       -5.813236    3.611503    0.467049
     24          6           0       -0.835695    4.642705   -0.068849
     25          6           0       -4.031037   -3.054918   -1.172707
     26          6           0        2.546451   -0.787251    2.901484
     27          6           0        3.373657   -2.287381   -0.120314
     28          6           0       -4.909138   -3.932893   -0.527116
     29          6           0       -4.448123   -2.394556   -2.334639
     30          6           0        2.893968   -1.887949    3.694162
     31          6           0        3.426299    0.297239    2.808833
     32          6           0        4.531584   -1.896565   -1.009775
     33          6           0       -6.190197   -4.144831   -1.036977
     34          6           0       -5.729771   -2.610169   -2.841706
     35          6           0       -6.602388   -3.483850   -2.193656
     36          6           0        4.108631   -1.903521    4.379911
     37          6           0        4.639840    0.278398    3.497345
     38          6           0        4.982971   -0.821443    4.282284
     39          6           0        4.931969    0.191017   -2.012882
     40          6           0        4.481955    1.397877   -1.470465
     41          6           0        6.152100    0.103981   -2.712319
     42          6           0        5.283109    2.536231   -1.609325
     43          6           0        6.936044    1.256913   -2.830722
     44          6           0        3.188804    1.452915   -0.770494
     45          6           0        6.593073   -1.161995   -3.322612
     46          6           0        6.505545    2.464147   -2.278309
     47          1           0       -3.341232   -2.085894    1.308689
     48          1           0       -4.421094    1.659680   -0.818860
     49          1           0       -1.277696   -1.003951    1.962858
     50          1           0       -1.046111   -2.744368    1.458683
     51          1           0       -0.167748   -1.977075   -0.771407
     52          1           0       -4.882327    2.572655    2.127012
     53          1           0        1.241222   -2.708421    1.185247
     54          1           0       -3.204592   -0.334742   -0.976571
     55          1           0       -1.963676   -2.559746   -1.470550
     56          1           0       -2.284707   -3.788484   -0.168474
     57          1           0       -3.060141    4.262809    1.562289
     58          1           0       -2.520541    2.619502    2.198474
     59          1           0       -0.663964    4.396564    2.105036
     60          1           0       -0.285623    2.899827    1.138686
     61          1           0        0.978138    0.304260    1.920932
     62          1           0        0.446116   -1.159411    2.866541
     63          1           0       -6.570163    0.945332    0.095936
     64          1           0       -7.191697    1.671093    1.651780
     65          1           0       -5.887584    0.392795    1.701279
     66          1           0       -6.138578    3.425091   -0.591107
     67          1           0       -5.064559    4.447208    0.471112
     68          1           0       -6.705899    3.932330    1.067679
     69          1           0        0.241246    4.934681   -0.245012
     70          1           0       -1.445631    5.589400    0.068215
     71          1           0        2.374239   -0.523151   -0.475545
     72          1           0       -0.955231    4.141166   -2.115111
     73          1           0       -0.930493    0.241188   -0.634197
     74          1           0       -4.586542   -4.458430    0.388381
     75          1           0       -3.761160   -1.706430   -2.857936
     76          1           0        2.207373   -2.748807    3.768691
     77          1           0        3.158790    1.170815    2.189084
     78          1           0        4.860853   -2.793895   -1.612933
     79          1           0        5.371199   -1.534685   -0.351380
     80          1           0       -6.878140   -4.837969   -0.523198
     81          1           0       -6.052208   -2.088496   -3.759238
     82          1           0       -7.616194   -3.653127   -2.596689
     83          1           0        4.379143   -2.776640    4.997722
     84          1           0        5.329514    1.135834    3.419445
     85          1           0        5.944179   -0.836146    4.824262
     86          1           0        4.945046    3.496537   -1.181520
     87          1           0        7.898641    1.209396   -3.369854
     88          1           0        2.835815    2.513647   -0.658607
     89          1           0        3.291317    0.995060    0.252350
     90          1           0        2.417437    0.870724   -1.344812
     91          1           0        7.329059   -0.968529   -4.148946
     92          1           0        5.709315   -1.714388   -3.745182
     93          1           0        7.085335   -1.809293   -2.545365
     94          1           0        7.132734    3.366970   -2.375051
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0868332      0.0388017      0.0357464
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3228.3581861238 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.221551910138     A.U. after   16 cycles
             Convg  =    0.6087D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000278022   -0.000964310   -0.001431813
      2        8           0.004006363    0.002534945   -0.001279228
      3        8           0.001869499   -0.008184832    0.003901928
      4        8          -0.000317567    0.003655477    0.005079227
      5        8           0.018211968    0.006628152   -0.009052091
      6        7           0.012614577    0.007915958   -0.001317465
      7        7           0.003354198    0.001900092    0.008443465
      8        7          -0.015952514   -0.006167139   -0.005935221
      9        7          -0.010099526    0.005229179   -0.003428720
     10        6          -0.008917415    0.001877260   -0.003501919
     11        6          -0.004898993    0.003167299   -0.010921197
     12        6          -0.009686576   -0.011222563    0.003072025
     13        6           0.008537551    0.003614740   -0.007013553
     14        6           0.001411078   -0.003926983    0.008612381
     15        6          -0.002743236   -0.001349641   -0.008030261
     16        6           0.003820201   -0.002372829   -0.004665818
     17        6          -0.003073588   -0.000305252   -0.001442717
     18        6          -0.001576836   -0.007998363    0.007592291
     19        6           0.001127486   -0.003873400    0.000319923
     20        6          -0.003425291    0.004396073    0.007042674
     21        6           0.002907937    0.004489798   -0.004322463
     22        6          -0.008860376    0.002974736   -0.003392987
     23        6           0.001987011    0.001850693    0.002548571
     24        6           0.002685584   -0.005643316    0.003692681
     25        6          -0.001802020    0.003951016   -0.000916575
     26        6           0.001719249   -0.004685177   -0.000338168
     27        6          -0.014299834   -0.003828179   -0.005790927
     28        6          -0.002710479    0.000429664   -0.000495133
     29        6           0.000840893    0.002025271    0.000013895
     30        6          -0.000874522   -0.002383687   -0.000872818
     31        6           0.001807654   -0.002093682    0.001202739
     32        6           0.004977788   -0.007258744   -0.005394280
     33        6          -0.001826777   -0.001280877   -0.000459632
     34        6           0.001803262    0.001248962    0.000457043
     35        6          -0.001177009    0.002062036   -0.000236785
     36        6          -0.001869751   -0.000256940   -0.001372559
     37        6           0.001666951    0.000847539    0.001419581
     38        6           0.000851168   -0.002208129    0.000072966
     39        6           0.006349428   -0.001208686   -0.005608120
     40        6           0.007873946   -0.001652564    0.008845423
     41        6          -0.002136350    0.001531397    0.005275094
     42        6           0.003876638   -0.000747762    0.001904661
     43        6           0.000381880    0.000213425    0.002224122
     44        6           0.001037661    0.002612363    0.012562990
     45        6           0.000155732   -0.000493033   -0.007116147
     46        6          -0.000943310    0.000267637    0.000509854
     47        1           0.002476486    0.001173857   -0.002013257
     48        1          -0.002304291   -0.003309626    0.000523860
     49        1          -0.000237435    0.004598895   -0.002043807
     50        1           0.000234138   -0.000101461    0.003500676
     51        1           0.002493463   -0.003355703    0.006632291
     52        1           0.001763563    0.003393010   -0.002655052
     53        1           0.001579702    0.000869109    0.004289129
     54        1          -0.000034930    0.001758440    0.000390082
     55        1          -0.004818776   -0.000246327    0.001482501
     56        1           0.001551397    0.002382385    0.002032634
     57        1          -0.000432376   -0.002983953   -0.002703390
     58        1           0.002403251    0.001051958    0.001413706
     59        1           0.000547538    0.003749551   -0.002088601
     60        1          -0.000548330    0.000897311    0.003549352
     61        1          -0.001526837   -0.002044385   -0.002933192
     62        1           0.004060936   -0.001770937   -0.000161714
     63        1          -0.001949784   -0.002896070    0.002358390
     64        1           0.001777207   -0.000758471   -0.003823739
     65        1          -0.000846408    0.004208210    0.001676966
     66        1          -0.000719619   -0.003061258    0.002555372
     67        1          -0.003308344    0.001632314   -0.001933217
     68        1           0.003320839    0.000014955   -0.002030994
     69        1          -0.002823698    0.000453945    0.000592203
     70        1           0.001855710   -0.002074541   -0.001419583
     71        1          -0.008824534   -0.001146076   -0.008050156
     72        1           0.000358426    0.002620441   -0.000014696
     73        1           0.001027740    0.000674497    0.000022269
     74        1           0.001201699    0.002173471    0.000404963
     75        1          -0.002546909   -0.000280382   -0.000597906
     76        1           0.002126392   -0.000413304    0.001136549
     77        1          -0.002024035   -0.002724473   -0.000176043
     78        1           0.000714412    0.000700073    0.005553232
     79        1           0.000322227    0.002821713   -0.002842072
     80        1           0.002352413   -0.000005586    0.000534546
     81        1          -0.001006517   -0.002199465   -0.000259069
     82        1           0.001540845   -0.002530725    0.000255403
     83        1           0.001026301    0.001738288    0.001173853
     84        1          -0.001963070    0.000658506   -0.001164375
     85        1          -0.001007565    0.002616798    0.000024215
     86        1           0.000163523    0.000008672   -0.002905588
     87        1          -0.002543568    0.000732349    0.001148027
     88        1          -0.001813986   -0.001076474   -0.003837144
     89        1           0.004728337    0.001100621    0.005088786
     90        1           0.006257773    0.005629442    0.008006160
     91        1          -0.003937221   -0.000798934   -0.000108511
     92        1           0.001991159   -0.003304645    0.000407101
     93        1           0.000986429    0.003673456   -0.000012087
     94        1          -0.002049384    0.000432906   -0.001435008
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.018211968 RMS     0.004031971

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.099907718 RMS     0.009087198
 Search for a local minimum.
 Step number   3 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 DE= -5.50D-03 DEPred=-2.69D-02 R= 2.04D-01
 Trust test= 2.04D-01 RLast= 6.36D-01 DXMaxT set to 5.05D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00229   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00230   0.00230   0.00231   0.00238   0.00291
     Eigenvalues ---    0.00426   0.00429   0.00480   0.00484   0.00556
     Eigenvalues ---    0.00621   0.00752   0.00806   0.00820   0.00945
     Eigenvalues ---    0.01127   0.01192   0.01317   0.01378   0.01395
     Eigenvalues ---    0.01429   0.01436   0.01439   0.01449   0.01453
     Eigenvalues ---    0.01493   0.01605   0.01968   0.02035   0.02086
     Eigenvalues ---    0.02112   0.02118   0.02130   0.02140   0.02148
     Eigenvalues ---    0.02150   0.02151   0.02157   0.02161   0.02163
     Eigenvalues ---    0.02169   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02182   0.02187
     Eigenvalues ---    0.02188   0.02188   0.02413   0.02468   0.03062
     Eigenvalues ---    0.03433   0.03498   0.03633   0.03732   0.03841
     Eigenvalues ---    0.03856   0.04025   0.04200   0.04509   0.04591
     Eigenvalues ---    0.04638   0.04687   0.04784   0.04844   0.04909
     Eigenvalues ---    0.05073   0.05084   0.05164   0.05368   0.05389
     Eigenvalues ---    0.05478   0.05544   0.05562   0.05583   0.05648
     Eigenvalues ---    0.05680   0.05721   0.06139   0.06409   0.06632
     Eigenvalues ---    0.06947   0.07143   0.07189   0.07285   0.07332
     Eigenvalues ---    0.07591   0.07667   0.07688   0.08948   0.09066
     Eigenvalues ---    0.09222   0.09290   0.09401   0.10593   0.11048
     Eigenvalues ---    0.12036   0.12678   0.12730   0.12939   0.13530
     Eigenvalues ---    0.14580   0.15812   0.15966   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16005   0.16106
     Eigenvalues ---    0.16211   0.16347   0.16409   0.16835   0.17038
     Eigenvalues ---    0.17700   0.18550   0.18828   0.19022   0.19090
     Eigenvalues ---    0.19983   0.20231   0.21963   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22012   0.22083
     Eigenvalues ---    0.22187   0.22626   0.23293   0.23479   0.23503
     Eigenvalues ---    0.23596   0.24508   0.24711   0.24936   0.24971
     Eigenvalues ---    0.24984   0.24997   0.24998   0.24998   0.25000
     Eigenvalues ---    0.25000   0.25000   0.25061   0.26097   0.26662
     Eigenvalues ---    0.27050   0.27106   0.27393   0.27741   0.28155
     Eigenvalues ---    0.28230   0.28255   0.28466   0.28651   0.28712
     Eigenvalues ---    0.29835   0.29975   0.30204   0.30733   0.31242
     Eigenvalues ---    0.32744   0.34398   0.34488   0.34548   0.34569
     Eigenvalues ---    0.34616   0.34641   0.34687   0.34696   0.34700
     Eigenvalues ---    0.34716   0.34724   0.34732   0.34736   0.34742
     Eigenvalues ---    0.34744   0.34751   0.34758   0.34770   0.34778
     Eigenvalues ---    0.34783   0.34791   0.34801   0.34806   0.34816
     Eigenvalues ---    0.34827   0.34833   0.34836   0.34850   0.34870
     Eigenvalues ---    0.34888   0.35064   0.35452   0.35826   0.35890
     Eigenvalues ---    0.35901   0.35922   0.35947   0.35969   0.35983
     Eigenvalues ---    0.35991   0.36000   0.36004   0.36025   0.36033
     Eigenvalues ---    0.36062   0.36174   0.36994   0.39568   0.41263
     Eigenvalues ---    0.41841   0.42182   0.42255   0.42339   0.42401
     Eigenvalues ---    0.42811   0.44688   0.45688   0.45885   0.46007
     Eigenvalues ---    0.46017   0.46065   0.46094   0.46135   0.46344
     Eigenvalues ---    0.46381   0.46741   0.46762   0.46764   0.46907
     Eigenvalues ---    0.47094   0.48195   0.48868   0.52973   0.55492
     Eigenvalues ---    0.55986   0.58334   0.84755   0.90384   0.90680
     Eigenvalues ---    0.931401000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-4.10110875D-02 EMin= 2.28735431D-03
 Quartic linear search produced a step of -0.42266.
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.831
 Iteration  1 RMS(Cart)=  0.16736954 RMS(Int)=  0.01192163
 Iteration  2 RMS(Cart)=  0.17737650 RMS(Int)=  0.00649108
 Iteration  3 RMS(Cart)=  0.09945382 RMS(Int)=  0.00127397
 Iteration  4 RMS(Cart)=  0.00338098 RMS(Int)=  0.00023142
 Iteration  5 RMS(Cart)=  0.00000326 RMS(Int)=  0.00023142
 Iteration  6 RMS(Cart)=  0.00000000 RMS(Int)=  0.00023142
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68488  -0.00072   0.00016  -0.00312  -0.00296   2.68192
    R2        1.81763   0.00035  -0.00145   0.00341   0.00196   1.81959
    R3        2.36070  -0.00460  -0.00593   0.00395  -0.00198   2.35872
    R4        2.38652  -0.00892  -0.01067   0.00698  -0.00369   2.38283
    R5        2.36641  -0.00471  -0.00828   0.00857   0.00029   2.36669
    R6        2.68949   0.03381   0.00842   0.01063   0.01905   2.70854
    R7        2.62753   0.02827  -0.00407   0.02517   0.02110   2.64863
    R8        2.70731   0.01299   0.02104  -0.01218   0.00886   2.71617
    R9        2.70948   0.01302   0.02473  -0.02206   0.00269   2.71217
   R10        2.66873  -0.00231  -0.01464   0.01885   0.00424   2.67297
   R11        2.71602   0.00766   0.01354  -0.01350   0.00003   2.71605
   R12        2.60377  -0.00328  -0.01258   0.01109  -0.00150   2.60227
   R13        1.87391   0.00124   0.01047  -0.01856  -0.00809   1.86581
   R14        2.71752   0.00528   0.01233  -0.00859   0.00375   2.72127
   R15        2.59371  -0.00591  -0.01009   0.00846  -0.00163   2.59208
   R16        1.88195  -0.01082   0.00677  -0.01945  -0.01269   1.86926
   R17        2.64645  -0.00662  -0.01618   0.01323  -0.00291   2.64354
   R18        2.70142   0.00650   0.01824  -0.02353  -0.00530   2.69612
   R19        1.86700   0.00152   0.01231  -0.02185  -0.00954   1.85746
   R20        2.87897   0.01482   0.01888  -0.01424   0.00464   2.88361
   R21        2.90589   0.00419   0.00114   0.01037   0.01152   2.91741
   R22        2.16166  -0.00298  -0.02715   0.04402   0.01687   2.17852
   R23        2.90460   0.00713   0.00746   0.00623   0.01369   2.91829
   R24        2.94922  -0.00181  -0.00592   0.00151  -0.00442   2.94481
   R25        2.15854  -0.00357  -0.02699   0.04248   0.01549   2.17404
   R26        2.84646   0.01658   0.02792  -0.03047  -0.00255   2.84391
   R27        2.13624  -0.00382  -0.02012   0.02971   0.00960   2.14583
   R28        2.13567  -0.00255  -0.02021   0.03192   0.01171   2.14738
   R29        2.94652   0.00747  -0.01041   0.04004   0.02963   2.97615
   R30        2.15373  -0.00687  -0.02410   0.03223   0.00813   2.16187
   R31        2.84598   0.01077   0.01537  -0.00520   0.01017   2.85614
   R32        2.85855   0.00144   0.01095  -0.01199  -0.00104   2.85752
   R33        2.14488  -0.00454  -0.02343   0.03622   0.01279   2.15767
   R34        2.90258   0.00840   0.00657   0.00682   0.01339   2.91597
   R35        2.15656  -0.00441  -0.02538   0.03948   0.01409   2.17065
   R36        2.79722   0.00659   0.02000  -0.02083  -0.00083   2.79639
   R37        2.13665  -0.00500  -0.01982   0.02797   0.00815   2.14480
   R38        2.13347  -0.00347  -0.01961   0.02957   0.00995   2.14342
   R39        2.88718   0.00019   0.00508  -0.01099  -0.00596   2.88122
   R40        2.14796  -0.00351  -0.02417   0.03751   0.01333   2.16129
   R41        2.14262  -0.00280  -0.02301   0.03635   0.01334   2.15597
   R42        2.89335  -0.00197   0.00191  -0.01002  -0.00813   2.88522
   R43        2.12232  -0.00407  -0.01584   0.02104   0.00520   2.12752
   R44        2.13032  -0.00356  -0.01704   0.02375   0.00670   2.13702
   R45        2.79263   0.00884   0.02192  -0.02222  -0.00030   2.79233
   R46        2.13722  -0.00388  -0.02049   0.03067   0.01019   2.14740
   R47        2.13564  -0.00401  -0.02031   0.03031   0.01000   2.14564
   R48        2.12161  -0.00403  -0.01605   0.02192   0.00588   2.12749
   R49        2.12199  -0.00402  -0.01572   0.02150   0.00578   2.12777
   R50        2.12294  -0.00374  -0.01663   0.02348   0.00685   2.12979
   R51        2.12146  -0.00398  -0.01561   0.02115   0.00554   2.12700
   R52        2.12032  -0.00415  -0.01578   0.02119   0.00540   2.12572
   R53        2.12166  -0.00376  -0.01617   0.02243   0.00625   2.12791
   R54        2.13471  -0.00273  -0.01984   0.03014   0.01030   2.14501
   R55        2.14385  -0.00231  -0.02235   0.03539   0.01304   2.15689
   R56        2.64473   0.00084  -0.00146   0.00427   0.00280   2.64753
   R57        2.64570   0.00020  -0.00131   0.00352   0.00221   2.64791
   R58        2.64605   0.00082  -0.00199   0.00480   0.00281   2.64886
   R59        2.64483   0.00117  -0.00115   0.00395   0.00280   2.64763
   R60        2.85635   0.04104   0.02395  -0.00670   0.01725   2.87360
   R61        2.63614  -0.00166   0.00032  -0.00403  -0.00370   2.63244
   R62        2.08589  -0.00251  -0.01156   0.01649   0.00493   2.09083
   R63        2.63630  -0.00155  -0.00001  -0.00331  -0.00332   2.63299
   R64        2.08665  -0.00263  -0.01163   0.01649   0.00485   2.09150
   R65        2.63608  -0.00190  -0.00006  -0.00392  -0.00398   2.63210
   R66        2.08560  -0.00244  -0.01125   0.01599   0.00475   2.09034
   R67        2.63689  -0.00173  -0.00033  -0.00319  -0.00352   2.63337
   R68        2.08623  -0.00299  -0.01186   0.01652   0.00466   2.09089
   R69        2.13583  -0.00533  -0.02021   0.02830   0.00809   2.14392
   R70        2.12911  -0.00335  -0.01675   0.02357   0.00683   2.13593
   R71        2.63527  -0.00021   0.00047  -0.00283  -0.00236   2.63292
   R72        2.08528  -0.00241  -0.01166   0.01673   0.00507   2.09035
   R73        2.63530  -0.00027   0.00087  -0.00363  -0.00276   2.63254
   R74        2.08554  -0.00243  -0.01186   0.01706   0.00520   2.09074
   R75        2.08632  -0.00297  -0.01199   0.01639   0.00440   2.09072
   R76        2.63540  -0.00033   0.00077  -0.00339  -0.00262   2.63279
   R77        2.08488  -0.00233  -0.01146   0.01645   0.00500   2.08988
   R78        2.63447  -0.00038   0.00103  -0.00404  -0.00301   2.63146
   R79        2.08463  -0.00237  -0.01159   0.01664   0.00505   2.08968
   R80        2.08545  -0.00280  -0.01134   0.01549   0.00416   2.08961
   R81        2.64105   0.03704   0.00778   0.01228   0.02005   2.66110
   R82        2.66278   0.00049  -0.00205   0.00714   0.00506   2.66784
   R83        2.64358   0.00287  -0.00152   0.00629   0.00479   2.64837
   R84        2.78068   0.00235   0.02272  -0.03090  -0.00819   2.77249
   R85        2.64416  -0.00322  -0.00245   0.00352   0.00105   2.64520
   R86        2.78349   0.00680   0.02122  -0.02219  -0.00097   2.78252
   R87        2.63689  -0.00838  -0.00100  -0.00653  -0.00750   2.62939
   R88        2.08684  -0.00290  -0.01225   0.01749   0.00524   2.09208
   R89        2.63744  -0.00914  -0.00127  -0.00663  -0.00789   2.62955
   R90        2.08686  -0.00288  -0.01211   0.01709   0.00499   2.09184
   R91        2.12312  -0.00419  -0.01672   0.02287   0.00615   2.12928
   R92        2.12655  -0.00376  -0.01763   0.02511   0.00748   2.13403
   R93        2.12440  -0.00275  -0.01630   0.02317   0.00687   2.13127
   R94        2.12284  -0.00380  -0.01631   0.02290   0.00659   2.12943
   R95        2.12519  -0.00364  -0.01708   0.02455   0.00747   2.13266
   R96        2.12578  -0.00359  -0.01737   0.02506   0.00769   2.13347
   R97        2.08540  -0.00254  -0.01123   0.01587   0.00464   2.09004
    A1        1.87701   0.00140   0.00761  -0.01428  -0.00667   1.87034
    A2        1.97752  -0.01400   0.00935  -0.03050  -0.02115   1.95637
    A3        2.08032   0.00110  -0.00228   0.01033   0.00797   2.08829
    A4        2.08224   0.00028  -0.00611   0.01017   0.00404   2.08629
    A5        2.11084  -0.00134   0.00790  -0.01940  -0.01140   2.09944
    A6        2.13003   0.00101   0.01674  -0.02928  -0.01251   2.11752
    A7        2.05888   0.00034  -0.01135   0.02470   0.01339   2.07227
    A8        2.09405  -0.00133  -0.00585   0.00511  -0.00071   2.09334
    A9        2.14603  -0.00340   0.02130  -0.04392  -0.02270   2.12334
   A10        2.04476   0.00048  -0.01193   0.02528   0.01328   2.05804
   A11        2.09229   0.00288  -0.00933   0.01818   0.00876   2.10106
   A12        2.10499   0.00375   0.02356  -0.03550  -0.01175   2.09325
   A13        2.06227  -0.00317  -0.00560   0.00077  -0.00491   2.05736
   A14        2.10301  -0.00051  -0.01933   0.03704   0.01765   2.12066
   A15        2.00879  -0.00068  -0.00493   0.00214  -0.00289   2.00590
   A16        1.96698  -0.00314  -0.00930   0.01562   0.00637   1.97336
   A17        1.85246   0.00129   0.00298  -0.00319  -0.00006   1.85240
   A18        1.89894   0.00529   0.01807  -0.01866  -0.00063   1.89831
   A19        1.83856  -0.00142   0.00541  -0.01096  -0.00570   1.83286
   A20        1.88973  -0.00153  -0.01287   0.01506   0.00235   1.89208
   A21        2.02727  -0.00271  -0.01488   0.02847   0.01368   2.04095
   A22        1.88367  -0.00048   0.00622  -0.01067  -0.00457   1.87910
   A23        1.87849   0.00145   0.02000  -0.03294  -0.01296   1.86552
   A24        1.88388   0.00372   0.01478  -0.02049  -0.00581   1.87806
   A25        1.86783  -0.00054  -0.00736   0.01040   0.00287   1.87071
   A26        1.92189  -0.00155  -0.01994   0.02720   0.00723   1.92912
   A27        2.04628   0.00357   0.00744  -0.01664  -0.00909   2.03719
   A28        1.89553  -0.00269  -0.00096  -0.00488  -0.00589   1.88965
   A29        1.85047  -0.00118   0.00760  -0.00996  -0.00216   1.84831
   A30        1.91375   0.00004  -0.00427   0.00972   0.00537   1.91913
   A31        1.86898  -0.00028   0.00494  -0.00202   0.00312   1.87210
   A32        1.88173   0.00039  -0.01706   0.02729   0.01016   1.89189
   A33        1.98737  -0.00125  -0.00649   0.00274  -0.00270   1.98467
   A34        1.85383  -0.00311   0.01444  -0.02007  -0.00544   1.84839
   A35        1.91826   0.00051  -0.02203   0.02899   0.00699   1.92525
   A36        1.90177   0.00918   0.02451  -0.01783   0.00691   1.90868
   A37        1.89624  -0.00109  -0.00165   0.00121  -0.00031   1.89592
   A38        1.90483  -0.00437  -0.00993   0.00431  -0.00573   1.89909
   A39        1.90138   0.00362   0.02688  -0.03872  -0.01185   1.88954
   A40        1.94128  -0.00213  -0.00245   0.00154  -0.00081   1.94047
   A41        1.90695  -0.00095   0.00026  -0.00396  -0.00365   1.90330
   A42        1.91861  -0.00099  -0.00573   0.01006   0.00455   1.92316
   A43        1.89037  -0.00034  -0.00803   0.01376   0.00600   1.89637
   A44        1.90452   0.00082  -0.01194   0.01759   0.00579   1.91030
   A45        1.94325  -0.00769  -0.00732   0.00364  -0.00371   1.93954
   A46        1.98880   0.00220  -0.00906   0.02272   0.01374   2.00253
   A47        1.87030   0.00162   0.00707  -0.01522  -0.00796   1.86234
   A48        1.88704   0.00755   0.02698  -0.03142  -0.00454   1.88249
   A49        1.87062  -0.00030  -0.00517   0.00540   0.00001   1.87063
   A50        1.89997  -0.00365  -0.01315   0.01505   0.00190   1.90187
   A51        1.95769   0.00147   0.00663  -0.00562   0.00105   1.95875
   A52        1.92577  -0.00040   0.00211  -0.00571  -0.00367   1.92210
   A53        1.87307  -0.00024   0.01558  -0.02820  -0.01260   1.86047
   A54        1.91782  -0.00071  -0.00883   0.01342   0.00465   1.92247
   A55        1.91587  -0.00040  -0.00649   0.01072   0.00451   1.92038
   A56        1.87112   0.00024  -0.00983   0.01559   0.00590   1.87701
   A57        2.12696   0.00096   0.01257  -0.02017  -0.00755   2.11942
   A58        2.11918   0.00125  -0.00597   0.01438   0.00846   2.12763
   A59        2.03689  -0.00223  -0.00694   0.00595  -0.00094   2.03595
   A60        1.96197  -0.00047  -0.00834   0.01626   0.00823   1.97020
   A61        1.89873   0.00079  -0.00432   0.01152   0.00703   1.90576
   A62        1.88809   0.00097   0.01145  -0.01506  -0.00367   1.88442
   A63        1.89838  -0.00015   0.00675  -0.01518  -0.00861   1.88977
   A64        1.92139  -0.00049   0.00149  -0.00604  -0.00458   1.91681
   A65        1.89407  -0.00065  -0.00715   0.00878   0.00163   1.89570
   A66        1.89081  -0.00034   0.00295  -0.00660  -0.00387   1.88694
   A67        1.91434   0.00079   0.00235  -0.00154   0.00075   1.91509
   A68        1.92178  -0.00037   0.00112  -0.00225  -0.00093   1.92085
   A69        1.93042  -0.00057  -0.00081  -0.00006  -0.00073   1.92969
   A70        1.92066   0.00046   0.00276  -0.00409  -0.00131   1.91935
   A71        1.88602   0.00004  -0.00841   0.01451   0.00606   1.89208
   A72        1.99123   0.00348   0.00314   0.00260   0.00572   1.99695
   A73        1.89431   0.00033   0.00901  -0.01236  -0.00341   1.89091
   A74        1.87523  -0.00111   0.01393  -0.02815  -0.01422   1.86101
   A75        1.92186  -0.00063  -0.00824   0.01604   0.00789   1.92974
   A76        1.90323  -0.00277  -0.00730   0.00330  -0.00384   1.89939
   A77        1.87401   0.00056  -0.01153   0.01875   0.00748   1.88149
   A78        2.10433   0.00210   0.02245  -0.03608  -0.01361   2.09071
   A79        2.09218  -0.00193  -0.00796   0.00891   0.00093   2.09311
   A80        2.08550  -0.00020  -0.01529   0.02803   0.01291   2.09841
   A81        1.93314   0.00076   0.00119   0.00088   0.00211   1.93525
   A82        1.91142   0.00122   0.00597  -0.00610  -0.00008   1.91134
   A83        1.91633   0.00352   0.01364  -0.01471  -0.00099   1.91535
   A84        1.89880  -0.00147  -0.00537   0.00343  -0.00194   1.89686
   A85        1.90432  -0.00182  -0.00518   0.00432  -0.00079   1.90353
   A86        1.89940  -0.00232  -0.01104   0.01263   0.00168   1.90109
   A87        1.92701   0.00082   0.00310  -0.00265   0.00048   1.92749
   A88        1.93948   0.00013   0.00221  -0.00153   0.00069   1.94016
   A89        1.90961   0.00126   0.00852  -0.01097  -0.00241   1.90720
   A90        1.89702  -0.00062  -0.00456   0.00481   0.00025   1.89727
   A91        1.89788  -0.00095  -0.00418   0.00412   0.00000   1.89787
   A92        1.89204  -0.00071  -0.00563   0.00661   0.00101   1.89305
   A93        1.94481  -0.00094  -0.02338   0.04121   0.01752   1.96233
   A94        1.89487   0.00146   0.00556  -0.00526   0.00026   1.89514
   A95        1.91071   0.00028  -0.00182   0.00517   0.00334   1.91405
   A96        1.92949  -0.00038   0.00552  -0.01221  -0.00653   1.92296
   A97        1.89123   0.00032   0.01767  -0.03245  -0.01469   1.87655
   A98        1.89200  -0.00074  -0.00335   0.00290  -0.00035   1.89165
   A99        2.09624   0.00088  -0.00167   0.00492   0.00327   2.09951
   A100       2.10196   0.00018  -0.00283   0.00654   0.00372   2.10568
   A101       2.08497  -0.00106   0.00449  -0.01150  -0.00701   2.07797
   A102       2.10121  -0.00148  -0.00331   0.00453   0.00125   2.10246
   A103       2.09833   0.00345  -0.00164   0.00868   0.00706   2.10539
   A104       2.08353  -0.00199   0.00499  -0.01351  -0.00851   2.07502
   A105       2.16281  -0.03432  -0.00773  -0.02790  -0.03568   2.12714
   A106       2.06873  -0.02457  -0.00159  -0.02439  -0.02602   2.04271
   A107       2.05163   0.05890   0.00928   0.05240   0.06163   2.11327
   A108       2.09774   0.00053  -0.00182   0.00484   0.00302   2.10075
   A109       2.09198  -0.00036   0.00293  -0.00599  -0.00306   2.08892
   A110       2.09347  -0.00018  -0.00111   0.00116   0.00005   2.09352
   A111       2.09722   0.00064  -0.00152   0.00439   0.00288   2.10009
   A112       2.09660  -0.00050   0.00152  -0.00351  -0.00199   2.09462
   A113       2.08934  -0.00014   0.00001  -0.00094  -0.00092   2.08842
   A114       2.09807   0.00113  -0.00181   0.00565   0.00383   2.10190
   A115       2.09092  -0.00067   0.00285  -0.00629  -0.00344   2.08748
   A116       2.09417  -0.00047  -0.00104   0.00064  -0.00040   2.09377
   A117       2.09856   0.00095  -0.00206   0.00589   0.00383   2.10238
   A118       2.09206  -0.00004   0.00369  -0.00649  -0.00280   2.08926
   A119       2.09256  -0.00091  -0.00163   0.00059  -0.00104   2.09152
   A120       1.87756   0.09991   0.03296   0.07930   0.11204   1.98959
   A121       1.89693  -0.02866  -0.00514  -0.03518  -0.03877   1.85815
   A122       1.96485  -0.02869  -0.00151  -0.01800  -0.02186   1.94299
   A123       1.90915  -0.03809  -0.00831  -0.05169  -0.05871   1.85045
   A124       1.88605  -0.00774   0.00096   0.01121   0.01097   1.89702
   A125       1.92811   0.00506  -0.01954   0.01471  -0.00536   1.92274
   A126       2.09738  -0.00013  -0.00251   0.00431   0.00180   2.09919
   A127       2.09182  -0.00003   0.00146  -0.00277  -0.00132   2.09051
   A128       2.09398   0.00016   0.00105  -0.00154  -0.00049   2.09349
   A129       2.09761  -0.00013  -0.00278   0.00478   0.00199   2.09961
   A130       2.09155  -0.00006   0.00150  -0.00291  -0.00140   2.09015
   A131       2.09402   0.00019   0.00128  -0.00187  -0.00059   2.09343
   A132       2.09144   0.00015   0.00413  -0.00682  -0.00268   2.08876
   A133       2.09617  -0.00010  -0.00193   0.00311   0.00118   2.09735
   A134       2.09557  -0.00006  -0.00220   0.00370   0.00150   2.09707
   A135       2.09768  -0.00005  -0.00263   0.00459   0.00195   2.09963
   A136       2.09165  -0.00010   0.00176  -0.00350  -0.00173   2.08991
   A137       2.09385   0.00015   0.00087  -0.00109  -0.00022   2.09363
   A138       2.09732  -0.00001  -0.00250   0.00435   0.00185   2.09916
   A139       2.09253  -0.00014   0.00157  -0.00316  -0.00159   2.09094
   A140       2.09334   0.00015   0.00093  -0.00119  -0.00026   2.09308
   A141       2.09121  -0.00004   0.00402  -0.00698  -0.00296   2.08825
   A142       2.09596   0.00001  -0.00208   0.00360   0.00152   2.09748
   A143       2.09602   0.00003  -0.00194   0.00338   0.00144   2.09746
   A144       2.02828   0.07235   0.02829   0.03024   0.05852   2.08680
   A145       2.12905  -0.05526  -0.01369  -0.04068  -0.05420   2.07485
   A146       2.12328  -0.01720  -0.01376   0.00813  -0.00562   2.11767
   A147       2.07118  -0.00449   0.00680  -0.01675  -0.01000   2.06118
   A148       2.09427   0.03883   0.01143   0.02348   0.03485   2.12912
   A149       2.11773  -0.03434  -0.01823  -0.00674  -0.02504   2.09270
   A150       2.06718   0.01165   0.00989  -0.00605   0.00376   2.07094
   A151       2.11529  -0.00769  -0.00159  -0.00462  -0.00618   2.10911
   A152       2.10064  -0.00394  -0.00829   0.01075   0.00249   2.10313
   A153       2.10281   0.00817  -0.00010   0.01123   0.01116   2.11397
   A154       2.08731  -0.00413   0.00368  -0.01198  -0.00834   2.07898
   A155       2.09306  -0.00402  -0.00357   0.00078  -0.00283   2.09023
   A156       2.10182   0.00238  -0.00066   0.00279   0.00210   2.10392
   A157       2.08774  -0.00129   0.00402  -0.00797  -0.00394   2.08380
   A158       2.09361  -0.00108  -0.00336   0.00519   0.00185   2.09546
   A159       1.93777  -0.00104   0.00003  -0.00339  -0.00337   1.93440
   A160       1.91463   0.00089   0.00210   0.00275   0.00485   1.91948
   A161       1.91837   0.00119   0.00532  -0.00517   0.00014   1.91851
   A162       1.89889  -0.00252  -0.00401  -0.00178  -0.00579   1.89310
   A163       1.90100  -0.00478  -0.00789  -0.00195  -0.00987   1.89113
   A164       1.89247   0.00637   0.00430   0.00988   0.01419   1.90666
   A165       1.93147   0.00158   0.00292   0.00056   0.00347   1.93493
   A166       1.92047   0.00120   0.00369  -0.00182   0.00188   1.92235
   A167       1.91696   0.00106   0.00089   0.00235   0.00324   1.92020
   A168       1.89975  -0.00109  -0.00616   0.00673   0.00057   1.90031
   A169       1.89721  -0.00125  -0.00212  -0.00109  -0.00321   1.89400
   A170       1.89744  -0.00161   0.00057  -0.00682  -0.00624   1.89120
   A171       2.09979  -0.00056  -0.00230   0.00041  -0.00186   2.09794
   A172       2.09170   0.00029   0.00110  -0.00018   0.00090   2.09260
   A173       2.09168   0.00026   0.00118  -0.00024   0.00092   2.09260
    D1       -1.02136   0.00298   0.02600  -0.03189  -0.00557  -1.02693
    D2       -3.11433  -0.00559  -0.01111   0.00226  -0.00889  -3.12321
    D3        1.11051   0.00106   0.00426  -0.00663  -0.00264   1.10786
    D4        2.33331   0.03793   0.03057   0.15319   0.18408   2.51739
    D5       -1.88446   0.03265   0.03646   0.11679   0.15243  -1.73204
    D6        0.25736  -0.00050   0.00753   0.09844   0.10646   0.36382
    D7       -1.93858  -0.02471  -0.01354  -0.12702  -0.14085  -2.07943
    D8        1.27885  -0.02260  -0.03034  -0.09354  -0.12358   1.15527
    D9        0.80683   0.00137   0.00243  -0.00057   0.00177   0.80860
   D10       -1.31022  -0.00129  -0.01133   0.01509   0.00365  -1.30657
   D11        2.89914   0.00001  -0.00220   0.00663   0.00452   2.90366
   D12       -2.18640   0.00112   0.00528  -0.00723  -0.00196  -2.18837
   D13        1.97974  -0.00153  -0.00847   0.00844  -0.00008   1.97965
   D14       -0.09409  -0.00024   0.00065  -0.00003   0.00079  -0.09330
   D15        2.75963  -0.00011  -0.00024  -0.00042  -0.00041   2.75921
   D16       -1.41995  -0.00006   0.00008  -0.00129  -0.00114  -1.42109
   D17        0.63438   0.00015  -0.00452   0.00711   0.00262   0.63700
   D18       -0.53283   0.00029  -0.00446   0.00898   0.00472  -0.52812
   D19        1.57078   0.00034  -0.00414   0.00811   0.00399   1.57477
   D20       -2.65807   0.00054  -0.00874   0.01651   0.00775  -2.65033
   D21       -0.04188  -0.00071  -0.00310   0.00015  -0.00263  -0.04451
   D22       -3.13120  -0.00025   0.01102  -0.01926  -0.00809  -3.13929
   D23       -3.03245  -0.00117   0.00079  -0.00927  -0.00809  -3.04053
   D24        0.16142  -0.00071   0.01491  -0.02868  -0.01355   0.14787
   D25       -1.24946   0.00151   0.00537  -0.00465   0.00073  -1.24873
   D26        2.84216  -0.00254  -0.00743   0.00586  -0.00151   2.84064
   D27        0.77655   0.00024   0.01127  -0.01911  -0.00791   0.76864
   D28        1.86907   0.00239  -0.00860   0.02195   0.01336   1.88243
   D29       -0.32250  -0.00165  -0.02140   0.03246   0.01112  -0.31138
   D30       -2.38810   0.00113  -0.00270   0.00749   0.00472  -2.38338
   D31       -0.01977   0.00147  -0.01598   0.03657   0.02047   0.00071
   D32        3.10325   0.00063  -0.02789   0.04681   0.01902   3.12227
   D33       -3.13784   0.00055  -0.00159   0.00920   0.00751  -3.13033
   D34       -0.01483  -0.00029  -0.01349   0.01945   0.00606  -0.00876
   D35       -2.27278   0.00450  -0.01905   0.04692   0.02788  -2.24489
   D36        1.87051  -0.00118  -0.04225   0.06875   0.02653   1.89704
   D37       -0.23240   0.00091  -0.02512   0.04635   0.02122  -0.21119
   D38        0.85356   0.00136  -0.01042   0.01198   0.00155   0.85510
   D39       -1.28634  -0.00432  -0.03363   0.03380   0.00019  -1.28615
   D40        2.89393  -0.00222  -0.01650   0.01141  -0.00512   2.88881
   D41        0.04608  -0.00043  -0.01265   0.01759   0.00488   0.05097
   D42       -3.09013  -0.00287  -0.00809  -0.00624  -0.01426  -3.10440
   D43       -3.07985   0.00281  -0.02151   0.05342   0.03183  -3.04802
   D44        0.06712   0.00037  -0.01694   0.02958   0.01269   0.07981
   D45        2.97167   0.00111  -0.01561   0.03267   0.01752   2.98919
   D46       -0.22183   0.00077  -0.02809   0.05057   0.02255  -0.19928
   D47        0.00118   0.00071  -0.00483   0.01374   0.00916   0.01034
   D48        3.09087   0.00038  -0.01730   0.03164   0.01419   3.10506
   D49        0.64336  -0.00056   0.02272  -0.04060  -0.01809   0.62527
   D50        2.77238  -0.00065   0.01842  -0.03300  -0.01475   2.75762
   D51       -1.44839  -0.00054   0.01657  -0.02961  -0.01311  -1.46150
   D52       -2.67335  -0.00040   0.01326  -0.02500  -0.01177  -2.68511
   D53       -0.54433  -0.00050   0.00896  -0.01740  -0.00843  -0.55276
   D54        1.51809  -0.00039   0.00710  -0.01401  -0.00679   1.51130
   D55       -1.13974   0.00019   0.01637  -0.02272  -0.00637  -1.14611
   D56        1.04052   0.00066   0.01545  -0.02649  -0.01100   1.02951
   D57        3.05864  -0.00079  -0.00095  -0.00229  -0.00316   3.05548
   D58        1.08660  -0.00010   0.01519  -0.01574  -0.00054   1.08606
   D59       -3.01633   0.00037   0.01427  -0.01951  -0.00517  -3.02150
   D60       -0.99821  -0.00107  -0.00213   0.00469   0.00267  -0.99554
   D61        3.10951  -0.00010   0.01184  -0.01271  -0.00102   3.10849
   D62       -0.99342   0.00037   0.01092  -0.01649  -0.00565  -0.99907
   D63        1.02470  -0.00107  -0.00548   0.00772   0.00219   1.02689
   D64       -1.00595   0.00071   0.00777  -0.01329  -0.00549  -1.01144
   D65        1.13848   0.00053   0.00258  -0.00409  -0.00141   1.13706
   D66       -3.11155   0.00047   0.00099  -0.00460  -0.00343  -3.11498
   D67        3.02738  -0.00025   0.00704  -0.01310  -0.00607   3.02131
   D68       -1.11138  -0.00043   0.00185  -0.00389  -0.00200  -1.11338
   D69        0.92179  -0.00049   0.00026  -0.00440  -0.00402   0.91777
   D70        1.03769  -0.00051  -0.00159   0.00153  -0.00028   1.03741
   D71       -3.10107  -0.00068  -0.00677   0.01073   0.00380  -3.09727
   D72       -1.06790  -0.00075  -0.00837   0.01022   0.00178  -1.06613
   D73       -3.08007  -0.00127   0.00099  -0.00819  -0.00730  -3.08737
   D74        1.08560  -0.00108  -0.00859   0.00396  -0.00466   1.08094
   D75       -1.01800  -0.00013   0.00754  -0.01634  -0.00896  -1.02696
   D76       -0.96314  -0.00085   0.01008  -0.01863  -0.00852  -0.97166
   D77       -3.08065  -0.00066   0.00050  -0.00648  -0.00588  -3.08653
   D78        1.09893   0.00029   0.01663  -0.02678  -0.01018   1.08875
   D79        1.10505  -0.00101  -0.00975   0.00814  -0.00155   1.10350
   D80       -1.01246  -0.00081  -0.01934   0.02029   0.00109  -1.01137
   D81       -3.11606   0.00013  -0.00320  -0.00001  -0.00321  -3.11927
   D82        1.50937  -0.00109  -0.02173   0.03240   0.01046   1.51982
   D83       -1.61374  -0.00025  -0.01042   0.02260   0.01210  -1.60164
   D84       -0.69456   0.00016  -0.01707   0.01730   0.00027  -0.69429
   D85        2.46552   0.00100  -0.00576   0.00749   0.00191   2.46743
   D86       -2.72787  -0.00048  -0.00547   0.00174  -0.00376  -2.73163
   D87        0.43221   0.00036   0.00584  -0.00806  -0.00212   0.43009
   D88        1.26624  -0.00017  -0.04554   0.06506   0.01951   1.28574
   D89       -2.95125   0.00145  -0.01361   0.02919   0.01569  -2.93556
   D90       -0.87772   0.00084  -0.01228   0.02484   0.01257  -0.86515
   D91       -0.90488   0.00069  -0.04633   0.07638   0.03002  -0.87486
   D92        1.16082   0.00231  -0.01439   0.04050   0.02620   1.18702
   D93       -3.04883   0.00170  -0.01306   0.03615   0.02308  -3.02575
   D94       -2.94200   0.00037  -0.02669   0.04010   0.01332  -2.92868
   D95       -0.87630   0.00198   0.00525   0.00422   0.00950  -0.86680
   D96        1.19723   0.00137   0.00658  -0.00013   0.00638   1.20361
   D97       -1.08494  -0.00059   0.02018  -0.03845  -0.01858  -1.10353
   D98        1.11246   0.00236   0.02300  -0.02959  -0.00691   1.10555
   D99       -3.12512   0.00182   0.01863  -0.02532  -0.00702  -3.13214
   D100       3.05045  -0.00247   0.00319  -0.01954  -0.01600   3.03445
   D101      -1.03534   0.00049   0.00601  -0.01068  -0.00432  -1.03966
   D102       1.01027  -0.00005   0.00164  -0.00641  -0.00444   1.00583
   D103       0.98230  -0.00397  -0.00314  -0.01313  -0.01629   0.96601
   D104      -3.10349  -0.00102  -0.00032  -0.00427  -0.00461  -3.10810
   D105      -1.05788  -0.00155  -0.00469   0.00000  -0.00473  -1.06261
   D106      -0.95936   0.00019   0.00117  -0.00353  -0.00230  -0.96166
   D107      -3.05363   0.00075   0.00324  -0.00442  -0.00116  -3.05479
   D108       1.14495   0.00070   0.00455  -0.00718  -0.00257   1.14238
   D109       1.17191  -0.00074   0.01212  -0.02017  -0.00803   1.16388
   D110      -0.92235  -0.00018   0.01419  -0.02107  -0.00690  -0.92925
   D111      -3.00696  -0.00023   0.01550  -0.02382  -0.00831  -3.01527
   D112      -3.03184  -0.00053  -0.00985   0.01524   0.00535  -3.02649
   D113       1.15708   0.00004  -0.00778   0.01435   0.00649   1.16356
   D114      -0.92753  -0.00001  -0.00647   0.01159   0.00508  -0.92245
   D115       1.01072   0.00138   0.01198  -0.01579  -0.00371   1.00701
   D116      -1.09563   0.00152   0.01418  -0.01906  -0.00481  -1.10043
   D117       3.09888   0.00151   0.01422  -0.01923  -0.00494   3.09394
   D118      -1.09669  -0.00112  -0.01640   0.02512   0.00865  -1.08804
   D119       3.08015  -0.00098  -0.01420   0.02184   0.00756   3.08771
   D120       0.99147  -0.00099  -0.01416   0.02167   0.00743   0.99890
   D121       3.11576  -0.00061   0.00322  -0.00820  -0.00497   3.11078
   D122       1.00941  -0.00047   0.00542  -0.01148  -0.00607   1.00334
   D123      -1.07927  -0.00048   0.00546  -0.01165  -0.00619  -1.08547
   D124      -0.84269  -0.00268   0.00566  -0.01450  -0.00879  -0.85148
   D125       1.30715  -0.00083   0.00402  -0.00123   0.00286   1.31001
   D126      -2.95470  -0.00059   0.00277  -0.00034   0.00252  -2.95218
   D127      -3.01307   0.00002   0.00106  -0.01120  -0.01011  -3.02318
   D128      -0.86324   0.00187  -0.00058   0.00207   0.00155  -0.86169
   D129       1.15810   0.00211  -0.00183   0.00296   0.00120   1.15930
   D130       1.24352  -0.00177   0.00008  -0.00860  -0.00867   1.23486
   D131      -2.88983   0.00007  -0.00156   0.00467   0.00299  -2.88684
   D132      -0.86849   0.00032  -0.00281   0.00556   0.00265  -0.86585
   D133      -1.48687   0.00000  -0.00853   0.01470   0.00616  -1.48070
   D134       1.66015   0.00002  -0.01399   0.02341   0.00939   1.66954
   D135       2.64741   0.00001  -0.00940   0.01627   0.00678   2.65419
   D136      -0.48876   0.00003  -0.01487   0.02498   0.01001  -0.47875
   D137       0.59378   0.00037   0.01104  -0.01712  -0.00597   0.58781
   D138      -2.54238   0.00040   0.00557  -0.00842  -0.00274  -2.54513
   D139       0.91256  -0.00015   0.00549  -0.01131  -0.00595   0.90661
   D140       3.02123  -0.00058   0.00776  -0.01636  -0.00876   3.01247
   D141      -1.18865  -0.00027  -0.00044  -0.00088  -0.00142  -1.19007
   D142      -1.19125  -0.00074   0.01171  -0.02583  -0.01414  -1.20539
   D143       0.91741  -0.00117   0.01398  -0.03088  -0.01695   0.90047
   D144       2.99072  -0.00087   0.00578  -0.01539  -0.00961   2.98111
   D145       3.01874   0.00043   0.01545  -0.02378  -0.00832   3.01042
   D146      -1.15578   0.00000   0.01772  -0.02884  -0.01113  -1.16691
   D147       0.91753   0.00030   0.00952  -0.01335  -0.00379   0.91374
   D148      -0.96523   0.00121  -0.00554   0.01464   0.00878  -0.95645
   D149      -3.07411   0.00025  -0.00069   0.00197   0.00114  -3.07297
   D150       1.13800   0.00118  -0.01127   0.02531   0.01401   1.15201
   D151      -3.06390   0.00080  -0.00980   0.02071   0.01072  -3.05318
   D152       1.11041  -0.00016  -0.00495   0.00804   0.00308   1.11349
   D153      -0.96067   0.00077  -0.01553   0.03139   0.01595  -0.94471
   D154       1.13667   0.00082  -0.00062   0.00535   0.00450   1.14117
   D155      -0.97220  -0.00014   0.00422  -0.00732  -0.00315  -0.97535
   D156      -3.04328   0.00079  -0.00635   0.01603   0.00973  -3.03355
   D157      -1.36478   0.00212   0.00395   0.00908   0.01305  -1.35174
   D158       1.79286   0.00282  -0.00690   0.03115   0.02425   1.81711
   D159       2.78358  -0.00033  -0.00378   0.01120   0.00730   2.79089
   D160      -0.34196   0.00037  -0.01463   0.03327   0.01851  -0.32345
   D161       0.73160   0.00100   0.01858  -0.02281  -0.00410   0.72749
   D162      -2.39394   0.00170   0.00773  -0.00074   0.00710  -2.38684
   D163      -3.13868   0.00001  -0.00464   0.00719   0.00256  -3.13612
   D164       0.00343   0.00003  -0.00385   0.00614   0.00231   0.00574
   D165      -0.00246  -0.00001   0.00080  -0.00138  -0.00058  -0.00304
   D166       3.13965   0.00001   0.00160  -0.00243  -0.00084   3.13882
   D167       3.13781   0.00001   0.00532  -0.00819  -0.00287   3.13494
   D168       0.00420  -0.00001   0.00010   0.00017   0.00027   0.00447
   D169       0.00161   0.00002  -0.00013   0.00041   0.00028   0.00189
   D170      -3.13200   0.00001  -0.00535   0.00877   0.00342  -3.12858
   D171      -3.13011   0.00027  -0.01049   0.01866   0.00815  -3.12196
   D172       0.02058   0.00047  -0.01003   0.01935   0.00931   0.02989
   D173      -0.00443  -0.00038   0.00030  -0.00303  -0.00272  -0.00715
   D174      -3.13693  -0.00017   0.00076  -0.00233  -0.00156  -3.13849
   D175       3.12907  -0.00039   0.01108  -0.02016  -0.00912   3.11995
   D176      -0.01203   0.00037   0.00828  -0.01089  -0.00263  -0.01466
   D177       0.00337   0.00030   0.00029   0.00153   0.00182   0.00519
   D178      -3.13773   0.00106  -0.00250   0.01080   0.00831  -3.12942
   D179       2.74593  -0.00510  -0.00724  -0.00595  -0.01470   2.73123
   D180       0.68841  -0.00673  -0.01528   0.01926   0.00458   0.69300
   D181      -1.41149   0.01401   0.01214   0.02492   0.03783  -1.37366
   D182      -0.40074  -0.00285  -0.01161   0.01653   0.00350  -0.39724
   D183      -2.45826  -0.00447  -0.01965   0.04175   0.02279  -2.43547
   D184       1.72502   0.01626   0.00777   0.04741   0.05604   1.78106
   D185       0.00108   0.00000  -0.00049   0.00079   0.00031   0.00139
   D186      -3.14113   0.00000   0.00005  -0.00002   0.00003  -3.14110
   D187      -3.14103  -0.00002  -0.00127   0.00184   0.00057  -3.14047
   D188      -0.00005  -0.00001  -0.00074   0.00103   0.00029   0.00023
   D189       0.00062  -0.00003  -0.00086   0.00115   0.00029   0.00091
   D190      -3.13925  -0.00004  -0.00169   0.00249   0.00079  -3.13847
   D191       3.13427  -0.00002   0.00434  -0.00718  -0.00284   3.13143
   D192      -0.00561  -0.00002   0.00350  -0.00585  -0.00234  -0.00795
   D193       0.00238   0.00020  -0.00060   0.00231   0.00172   0.00409
   D194      -3.13492   0.00014  -0.00086   0.00231   0.00146  -3.13346
   D195       3.13486  -0.00001  -0.00103   0.00158   0.00054   3.13539
   D196      -0.00244  -0.00007  -0.00130   0.00158   0.00028  -0.00216
   D197      -0.00025  -0.00004  -0.00060   0.00071   0.00009  -0.00016
   D198       3.14051   0.00016  -0.00119   0.00294   0.00174  -3.14093
   D199       3.14085  -0.00080   0.00218  -0.00857  -0.00640   3.13445
   D200      -0.00157  -0.00060   0.00159  -0.00633  -0.00475  -0.00633
   D201       0.00116   0.00000  -0.00051   0.00078   0.00028   0.00144
   D202       3.14063   0.00001   0.00078  -0.00118  -0.00040   3.14023
   D203      -3.13982  -0.00001  -0.00104   0.00160   0.00056  -3.13926
   D204      -0.00035   0.00001   0.00024  -0.00037  -0.00012  -0.00047
   D205      -0.00201   0.00002   0.00118  -0.00175  -0.00057  -0.00259
   D206      -3.14148   0.00000  -0.00011   0.00022   0.00011  -3.14138
   D207       3.13786   0.00003   0.00202  -0.00309  -0.00107   3.13679
   D208      -0.00161   0.00001   0.00073  -0.00112  -0.00039  -0.00200
   D209       0.00077   0.00007   0.00028  -0.00003   0.00026   0.00103
   D210      -3.13997  -0.00012  -0.00003  -0.00080  -0.00083  -3.14080
   D211       3.13806   0.00013   0.00055  -0.00003   0.00052   3.13858
   D212      -0.00268  -0.00006   0.00024  -0.00081  -0.00057  -0.00325
   D213      -0.00184  -0.00015   0.00032  -0.00148  -0.00116  -0.00300
   D214       3.13890   0.00004   0.00063  -0.00070  -0.00007   3.13884
   D215       3.14059  -0.00035   0.00091  -0.00372  -0.00281   3.13778
   D216      -0.00185  -0.00015   0.00122  -0.00294  -0.00172  -0.00357
   D217      -3.08758   0.00041  -0.02226   0.02422   0.00291  -3.08467
   D218       0.05388  -0.00284  -0.02210   0.00387  -0.01770   0.03618
   D219      -0.02155  -0.00350  -0.00552  -0.01145  -0.01698  -0.03853
   D220       3.11991  -0.00675  -0.00537  -0.03179  -0.03759   3.08232
   D221       3.08827   0.00368   0.02289  -0.02569  -0.00189   3.08638
   D222      -0.04016   0.00208   0.02110  -0.03233  -0.01037  -0.05053
   D223       0.02661   0.00220   0.00432   0.00882   0.01299   0.03960
   D224      -3.10182   0.00060   0.00253   0.00218   0.00451  -3.09731
   D225       0.00147   0.00247   0.00367   0.00514   0.00904   0.01051
   D226      -3.13546   0.00009   0.00176  -0.00340  -0.00152  -3.13698
   D227      -3.13998   0.00576   0.00352   0.02577   0.02920  -3.11079
   D228       0.00627   0.00338   0.00160   0.01723   0.01864   0.02491
   D229      -2.85629   0.00078   0.00009  -0.00297  -0.00278  -2.85907
   D230       1.32751   0.00400   0.00370  -0.00038   0.00343   1.33094
   D231      -0.75180  -0.00510  -0.00628  -0.01102  -0.01717  -0.76897
   D232       0.28517  -0.00256   0.00024  -0.02387  -0.02375   0.26141
   D233      -1.81422   0.00066   0.00386  -0.02128  -0.01754  -1.83176
   D234       2.38965  -0.00843  -0.00612  -0.03192  -0.03814   2.35151
   D235      -0.01167   0.00024  -0.00121   0.00024  -0.00068  -0.01235
   D236       3.13549  -0.00076  -0.00132  -0.00286  -0.00412   3.13137
   D237       3.11688   0.00180   0.00060   0.00671   0.00770   3.12458
   D238      -0.01915   0.00080   0.00049   0.00361   0.00426  -0.01489
   D239       2.74752   0.00098   0.00035   0.00504   0.00543   2.75295
   D240       0.64730   0.00054   0.00375  -0.00253   0.00124   0.64854
   D241      -1.44087   0.00111   0.00015   0.00554   0.00574  -1.43513
   D242      -0.38066  -0.00077  -0.00157  -0.00160  -0.00321  -0.38387
   D243      -2.48089  -0.00121   0.00183  -0.00918  -0.00740  -2.48828
   D244       1.71414  -0.00063  -0.00177  -0.00110  -0.00290   1.71124
   D245       0.01301   0.00019  -0.00032   0.00350   0.00294   0.01595
   D246      -3.13347  -0.00109  -0.00293   0.00020  -0.00286  -3.13634
   D247      -3.13325   0.00258   0.00160   0.01204   0.01355  -3.11970
   D248       0.00345   0.00130  -0.00101   0.00874   0.00775   0.01119
   D249      -0.00773  -0.00168  -0.00098  -0.00619  -0.00724  -0.01497
   D250       3.13876  -0.00039   0.00162  -0.00288  -0.00144   3.13732
   D251       3.12828  -0.00068  -0.00085  -0.00311  -0.00380   3.12448
   D252      -0.00842   0.00061   0.00176   0.00019   0.00201  -0.00641
         Item               Value     Threshold  Converged?
 Maximum Force            0.099908     0.000450     NO 
 RMS     Force            0.009087     0.000300     NO 
 Maximum Displacement     3.055052     0.001800     NO 
 RMS     Displacement     0.438809     0.001200     NO 
 Predicted change in Energy=-3.422052D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.230254    0.176961   -0.139313
      2          8           0       -3.739436    0.561285    1.955073
      3          8           0       -3.187380    2.221124   -2.593524
      4          8           0        3.302255   -2.996472    1.101062
      5          8           0        4.312768   -0.957179   -1.656113
      6          7           0       -3.232188    2.671094   -0.322310
      7          7           0       -3.261305   -0.525111   -0.004050
      8          7           0        2.292882   -1.073426    0.361200
      9          7           0       -1.673883    3.783008   -1.834078
     10          6           0       -2.704499   -1.671036    0.661214
     11          6           0       -4.310063    1.741034   -0.124556
     12          6           0       -1.350815   -1.434809    1.324718
     13          6           0       -0.193709   -1.130317    0.411914
     14          6           0       -5.567258    2.270735    0.599125
     15          6           0        1.151141   -1.217646    1.226836
     16          6           0       -2.599574   -2.909949   -0.253932
     17          6           0       -3.756214    0.545226    0.707110
     18          6           0       -2.803407    3.502807    0.765921
     19          6           0       -1.379372    4.019115    0.592169
     20          6           0        1.076786   -0.188690    2.374342
     21          6           0       -2.724487    2.883233   -1.625374
     22          6           0       -6.534935    1.122273    0.769379
     23          6           0       -6.217487    3.389397   -0.183397
     24          6           0       -1.273810    4.665626   -0.786952
     25          6           0       -3.911704   -3.307164   -0.810981
     26          6           0        2.331249   -0.036066    3.140134
     27          6           0        3.325647   -1.976016    0.375370
     28          6           0       -4.771851   -4.131851   -0.074178
     29          6           0       -4.307961   -2.874558   -2.083470
     30          6           0        2.701519   -0.992683    4.095431
     31          6           0        3.153531    1.081882    2.947695
     32          6           0        4.547206   -1.785199   -0.509919
     33          6           0       -6.004609   -4.512004   -0.599837
     34          6           0       -5.541559   -3.259072   -2.604738
     35          6           0       -6.393154   -4.076533   -1.864995
     36          6           0        3.872358   -0.836187    4.833449
     37          6           0        4.322724    1.235000    3.690282
     38          6           0        4.686171    0.276717    4.632977
     39          6           0        5.425947   -0.166063   -1.971447
     40          6           0        5.309133    1.237139   -1.951758
     41          6           0        6.608746   -0.798159   -2.412478
     42          6           0        6.420746    1.997506   -2.339365
     43          6           0        7.695353   -0.000621   -2.790111
     44          6           0        4.062664    1.907963   -1.566002
     45          6           0        6.699688   -2.266196   -2.481044
     46          6           0        7.603542    1.387109   -2.744873
     47          1           0       -3.422900   -1.918625    1.528166
     48          1           0       -4.642040    1.387503   -1.167794
     49          1           0       -1.469617   -0.604468    2.090120
     50          1           0       -1.101821   -2.397163    1.875313
     51          1           0       -0.170838   -1.912586   -0.422527
     52          1           0       -5.268919    2.653205    1.632758
     53          1           0        1.208125   -2.273604    1.675304
     54          1           0       -3.276912   -0.510448   -0.991164
     55          1           0       -1.861534   -2.713901   -1.093602
     56          1           0       -2.178006   -3.748466    0.383010
     57          1           0       -3.503664    4.403204    0.849539
     58          1           0       -2.879054    2.892145    1.726647
     59          1           0       -1.145773    4.768576    1.399169
     60          1           0       -0.643979    3.164043    0.675203
     61          1           0        0.750756    0.809175    1.939283
     62          1           0        0.259307   -0.544560    3.077385
     63          1           0       -6.761655    0.638312   -0.221500
     64          1           0       -7.496975    1.503717    1.212982
     65          1           0       -6.092903    0.351642    1.462883
     66          1           0       -6.489467    3.038950   -1.217850
     67          1           0       -5.530582    4.275800   -0.271767
     68          1           0       -7.155835    3.716766    0.346043
     69          1           0       -0.206453    4.998651   -0.982588
     70          1           0       -1.944536    5.589133   -0.785719
     71          1           0        2.297679   -0.317677   -0.276983
     72          1           0       -1.327045    3.880470   -2.748597
     73          1           0       -1.055572    0.255874   -0.628974
     74          1           0       -4.468257   -4.481657    0.930624
     75          1           0       -3.635563   -2.232795   -2.684282
     76          1           0        2.062521   -1.881407    4.254948
     77          1           0        2.868171    1.851143    2.205372
     78          1           0        4.810982   -2.815146   -0.905830
     79          1           0        5.393223   -1.382280    0.122108
     80          1           0       -6.676353   -5.163038   -0.009480
     81          1           0       -5.843682   -2.914440   -3.611716
     82          1           0       -7.372064   -4.380567   -2.281330
     83          1           0        4.157580   -1.601810    5.578780
     84          1           0        4.963406    2.121939    3.530006
     85          1           0        5.615636    0.398531    5.219485
     86          1           0        6.348944    3.102173   -2.325992
     87          1           0        8.632111   -0.483616   -3.128563
     88          1           0        4.071506    2.987113   -1.889973
     89          1           0        3.936419    1.872241   -0.444367
     90          1           0        3.184117    1.397439   -2.055390
     91          1           0        7.504357   -2.585173   -3.202528
     92          1           0        5.714211   -2.701327   -2.817402
     93          1           0        6.944600   -2.686269   -1.462143
     94          1           0        8.470096    2.006897   -3.041831
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0846476      0.0356243      0.0334653
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3173.8626203792 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.228458512882     A.U. after   15 cycles
             Convg  =    0.5597D-08             -V/T =  0.9996
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000605767    0.000138133   -0.002301573
      2        8           0.002417393    0.001084460    0.001271328
      3        8           0.003318258   -0.004149977    0.001287399
      4        8           0.000829817   -0.000231822    0.001818772
      5        8          -0.000779794   -0.004566668    0.010183877
      6        7           0.011175371    0.006594777    0.002981384
      7        7           0.000434233   -0.000606856    0.006900506
      8        7           0.000573121   -0.003432486   -0.001028992
      9        7          -0.016401987    0.002015217   -0.004189819
     10        6          -0.011286730    0.001339916   -0.007303428
     11        6          -0.000920226    0.005004579   -0.007805303
     12        6          -0.011900879   -0.012420543    0.001301843
     13        6           0.012421191   -0.004971474   -0.009287140
     14        6           0.002908232   -0.006375840    0.004796968
     15        6          -0.006966944    0.004305103   -0.004841432
     16        6           0.004136673   -0.005736306   -0.001311292
     17        6          -0.001841449    0.001465168   -0.001653474
     18        6          -0.009715266   -0.008268161    0.008036524
     19        6           0.001247249   -0.005421507   -0.003345311
     20        6          -0.003228692    0.008977928    0.003199401
     21        6          -0.002540081    0.005130402   -0.004680199
     22        6          -0.007137534    0.002014475   -0.002167445
     23        6           0.000982453    0.002019895    0.003165493
     24        6           0.009355080   -0.007166530    0.011500837
     25        6          -0.002446844    0.005205017   -0.001415210
     26        6           0.002745285   -0.006044462    0.000147551
     27        6          -0.001284304    0.003714001   -0.001940497
     28        6          -0.001129136   -0.003652820   -0.000290096
     29        6           0.003793649   -0.000914962    0.000637844
     30        6          -0.002674694    0.001597469   -0.002045775
     31        6           0.000885920    0.003293335    0.002317249
     32        6           0.005025192   -0.003449534   -0.006228719
     33        6          -0.005309509   -0.001242604   -0.001602703
     34        6           0.003314815    0.004582338    0.001200711
     35        6          -0.002596678    0.004259401   -0.000704711
     36        6          -0.003219114   -0.002964386   -0.003708122
     37        6           0.004446272    0.000040061    0.003675383
     38        6           0.001673655   -0.004850809    0.000066806
     39        6           0.000361001    0.002283297   -0.004714810
     40        6           0.006074144   -0.003516810   -0.010116667
     41        6           0.001861489   -0.000085219    0.009223592
     42        6           0.000859566    0.000701531    0.003967085
     43        6           0.000595541   -0.001154496   -0.004472967
     44        6          -0.009580984    0.004485003    0.008640590
     45        6          -0.000664226   -0.000526065   -0.010389537
     46        6           0.003479035   -0.000750644    0.001731128
     47        1           0.007457210    0.002709684   -0.002882137
     48        1          -0.004666317   -0.007433910    0.002069894
     49        1           0.001194601    0.004565324   -0.005559359
     50        1           0.001757724    0.001454909    0.007111687
     51        1           0.001889689   -0.005172757    0.009361515
     52        1           0.002841934    0.007725496   -0.004444869
     53        1           0.002280965    0.002827642    0.008791525
     54        1           0.001713808    0.004061976   -0.001447525
     55        1          -0.008235432   -0.000366586    0.001206837
     56        1           0.002714352    0.005406524    0.003602957
     57        1           0.000017522   -0.003478436   -0.007139972
     58        1           0.004718165    0.004028830    0.003264557
     59        1           0.000780926    0.004639272   -0.003692035
     60        1          -0.001282798    0.001252960    0.005506518
     61        1          -0.002571826   -0.004455465   -0.006159515
     62        1           0.007205756   -0.000926254    0.000938513
     63        1          -0.002260739   -0.004864574    0.003503994
     64        1           0.003959335   -0.001413925   -0.004878211
     65        1          -0.000421428    0.006054410    0.003420833
     66        1          -0.001429581   -0.004855609    0.003312348
     67        1          -0.004621537    0.002115711   -0.003464072
     68        1           0.005343990   -0.000149805   -0.002829879
     69        1          -0.005213297    0.002253879    0.000580577
     70        1           0.003526065   -0.002398326   -0.004659209
     71        1           0.002955845    0.000746511    0.002291784
     72        1           0.004507137    0.003586673    0.000015406
     73        1           0.001769990    0.000123902    0.000713202
     74        1           0.001837298    0.003613484    0.000733256
     75        1          -0.004082149   -0.000462562   -0.001019807
     76        1           0.003135034   -0.000877079    0.002173799
     77        1          -0.001569184   -0.002777200   -0.002737932
     78        1          -0.001019640   -0.002180068    0.004771171
     79        1          -0.003233528    0.004896827   -0.001826381
     80        1           0.003842801    0.000087132    0.001165259
     81        1          -0.001738783   -0.003643026   -0.000559071
     82        1           0.002318515   -0.003837554    0.000585625
     83        1           0.001642201    0.002748892    0.002244323
     84        1          -0.003063893    0.001061447   -0.002312779
     85        1          -0.001487259    0.004002002   -0.000055998
     86        1          -0.001130400   -0.000304508   -0.004044402
     87        1          -0.002810310    0.001525759    0.003000255
     88        1          -0.003915997   -0.001282986   -0.004047397
     89        1           0.002981885    0.005842873   -0.001260544
     90        1           0.000555425   -0.005542386    0.002610494
     91        1          -0.005524583   -0.000260152    0.002808533
     92        1           0.004628910   -0.004311671   -0.000302090
     93        1           0.003658763    0.004871936    0.000103913
     94        1          -0.003640966    0.001040265   -0.001072643
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.016401987 RMS     0.004396029

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.019287768 RMS     0.003296198
 Search for a local minimum.
 Step number   4 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 DE= -6.91D-03 DEPred=-3.42D-02 R= 2.02D-01
 Trust test= 2.02D-01 RLast= 4.23D-01 DXMaxT set to 5.05D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00229   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00230   0.00230   0.00231   0.00238   0.00291
     Eigenvalues ---    0.00427   0.00429   0.00481   0.00484   0.00556
     Eigenvalues ---    0.00619   0.00754   0.00797   0.00820   0.00940
     Eigenvalues ---    0.01118   0.01185   0.01361   0.01392   0.01420
     Eigenvalues ---    0.01431   0.01432   0.01437   0.01450   0.01473
     Eigenvalues ---    0.01495   0.01605   0.02009   0.02039   0.02099
     Eigenvalues ---    0.02118   0.02123   0.02132   0.02144   0.02150
     Eigenvalues ---    0.02151   0.02151   0.02157   0.02162   0.02169
     Eigenvalues ---    0.02172   0.02172   0.02176   0.02177   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02182   0.02187   0.02187
     Eigenvalues ---    0.02188   0.02366   0.02440   0.02516   0.03128
     Eigenvalues ---    0.03415   0.03478   0.03623   0.03773   0.03808
     Eigenvalues ---    0.03850   0.04032   0.04151   0.04465   0.04557
     Eigenvalues ---    0.04614   0.04714   0.04810   0.04830   0.04899
     Eigenvalues ---    0.05058   0.05090   0.05188   0.05397   0.05424
     Eigenvalues ---    0.05473   0.05536   0.05578   0.05601   0.05661
     Eigenvalues ---    0.05680   0.05726   0.06064   0.06136   0.06480
     Eigenvalues ---    0.06968   0.07146   0.07192   0.07264   0.07292
     Eigenvalues ---    0.07543   0.07658   0.07663   0.08860   0.09084
     Eigenvalues ---    0.09321   0.09343   0.09425   0.10714   0.11773
     Eigenvalues ---    0.12074   0.12608   0.12738   0.12962   0.14245
     Eigenvalues ---    0.15281   0.15828   0.15967   0.15986   0.15993
     Eigenvalues ---    0.15997   0.15999   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16003
     Eigenvalues ---    0.16249   0.16355   0.16408   0.16968   0.17096
     Eigenvalues ---    0.17872   0.18635   0.18908   0.19107   0.19122
     Eigenvalues ---    0.19939   0.20721   0.21976   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22002   0.22036   0.22080
     Eigenvalues ---    0.22233   0.22773   0.23254   0.23474   0.23506
     Eigenvalues ---    0.23560   0.24537   0.24724   0.24897   0.24928
     Eigenvalues ---    0.24967   0.24989   0.24991   0.24996   0.24999
     Eigenvalues ---    0.24999   0.25000   0.25050   0.26279   0.26658
     Eigenvalues ---    0.27012   0.27111   0.27341   0.27749   0.28170
     Eigenvalues ---    0.28220   0.28296   0.28472   0.28666   0.28712
     Eigenvalues ---    0.29834   0.29976   0.30189   0.30811   0.31076
     Eigenvalues ---    0.32695   0.34388   0.34488   0.34548   0.34569
     Eigenvalues ---    0.34608   0.34640   0.34687   0.34695   0.34699
     Eigenvalues ---    0.34710   0.34725   0.34731   0.34736   0.34741
     Eigenvalues ---    0.34743   0.34751   0.34756   0.34769   0.34778
     Eigenvalues ---    0.34783   0.34791   0.34801   0.34806   0.34816
     Eigenvalues ---    0.34827   0.34833   0.34836   0.34850   0.34869
     Eigenvalues ---    0.34887   0.35004   0.35449   0.35829   0.35890
     Eigenvalues ---    0.35901   0.35923   0.35947   0.35969   0.35983
     Eigenvalues ---    0.35991   0.36000   0.36004   0.36025   0.36033
     Eigenvalues ---    0.36062   0.36180   0.36741   0.39825   0.41311
     Eigenvalues ---    0.41787   0.42195   0.42234   0.42318   0.42404
     Eigenvalues ---    0.42793   0.44658   0.45687   0.45914   0.45990
     Eigenvalues ---    0.46021   0.46067   0.46097   0.46136   0.46345
     Eigenvalues ---    0.46385   0.46742   0.46762   0.46765   0.46905
     Eigenvalues ---    0.47087   0.48126   0.48953   0.52873   0.55492
     Eigenvalues ---    0.55989   0.58262   0.90305   0.90383   0.91446
     Eigenvalues ---    0.935231000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-4.13989234D-02 EMin= 2.28571550D-03
 Quartic linear search produced a step of -0.50079.
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.750
 Iteration  1 RMS(Cart)=  0.27131131 RMS(Int)=  0.01005043
 Iteration  2 RMS(Cart)=  0.08126856 RMS(Int)=  0.00082599
 Iteration  3 RMS(Cart)=  0.00249040 RMS(Int)=  0.00017814
 Iteration  4 RMS(Cart)=  0.00000311 RMS(Int)=  0.00017814
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00017814
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68192  -0.00057   0.00148   0.00006   0.00154   2.68346
    R2        1.81959  -0.00029  -0.00098  -0.00137  -0.00236   1.81723
    R3        2.35872  -0.00196   0.00099  -0.00563  -0.00464   2.35408
    R4        2.38283  -0.00408   0.00185  -0.01065  -0.00880   2.37403
    R5        2.36669  -0.00158  -0.00014  -0.00735  -0.00750   2.35920
    R6        2.70854  -0.00201  -0.00954   0.02662   0.01708   2.72562
    R7        2.64863  -0.00538  -0.01056   0.00839  -0.00217   2.64645
    R8        2.71617   0.00562  -0.00443   0.02667   0.02223   2.73840
    R9        2.71217   0.00971  -0.00135   0.03621   0.03486   2.74702
   R10        2.67297  -0.00371  -0.00212  -0.01386  -0.01601   2.65696
   R11        2.71605   0.00684  -0.00002   0.02199   0.02197   2.73803
   R12        2.60227   0.00005   0.00075  -0.00800  -0.00725   2.59503
   R13        1.86581   0.00448   0.00405   0.01326   0.01731   1.88313
   R14        2.72127   0.00095  -0.00188   0.01066   0.00878   2.73005
   R15        2.59208  -0.00023   0.00082  -0.00884  -0.00802   2.58406
   R16        1.86926   0.00359   0.00635   0.00206   0.00841   1.87767
   R17        2.64354  -0.00431   0.00146  -0.01539  -0.01396   2.62958
   R18        2.69612   0.00782   0.00266   0.02641   0.02908   2.72520
   R19        1.85746   0.00559   0.00478   0.01594   0.02071   1.87817
   R20        2.88361   0.01359  -0.00232   0.04581   0.04349   2.92710
   R21        2.91741  -0.00119  -0.00577  -0.00158  -0.00735   2.91006
   R22        2.17852  -0.00811  -0.00845  -0.03265  -0.04109   2.13743
   R23        2.91829   0.00049  -0.00686   0.00646  -0.00039   2.91789
   R24        2.94481  -0.00149   0.00221  -0.00466  -0.00245   2.94236
   R25        2.17404  -0.00846  -0.00776  -0.03292  -0.04068   2.13336
   R26        2.84391   0.01553   0.00128   0.05824   0.05952   2.90343
   R27        2.14583  -0.00711  -0.00481  -0.02589  -0.03069   2.11514
   R28        2.14738  -0.00679  -0.00586  -0.02512  -0.03099   2.11639
   R29        2.97615  -0.00439  -0.01484  -0.01604  -0.03088   2.94528
   R30        2.16187  -0.00996  -0.00407  -0.03373  -0.03781   2.12406
   R31        2.85614   0.00522  -0.00509   0.02296   0.01787   2.87401
   R32        2.85752  -0.00040   0.00052   0.00642   0.00694   2.86446
   R33        2.15767  -0.00933  -0.00640  -0.03223  -0.03863   2.11904
   R34        2.91597  -0.00221  -0.00670   0.00405  -0.00265   2.91332
   R35        2.17065  -0.00911  -0.00706  -0.03340  -0.04046   2.13019
   R36        2.79639   0.00467   0.00042   0.02355   0.02397   2.82036
   R37        2.14480  -0.00827  -0.00408  -0.02781  -0.03189   2.11291
   R38        2.14342  -0.00691  -0.00499  -0.02520  -0.03019   2.11324
   R39        2.88122   0.00230   0.00298   0.00907   0.01209   2.89332
   R40        2.16129  -0.00769  -0.00668  -0.02970  -0.03637   2.12492
   R41        2.15597  -0.00690  -0.00668  -0.02745  -0.03413   2.12183
   R42        2.88522   0.00082   0.00407   0.00367   0.00774   2.89296
   R43        2.12752  -0.00589  -0.00261  -0.02081  -0.02342   2.10411
   R44        2.13702  -0.00556  -0.00336  -0.02114  -0.02450   2.11252
   R45        2.79233   0.00535   0.00015   0.02789   0.02804   2.82037
   R46        2.14740  -0.00800  -0.00510  -0.02744  -0.03255   2.11486
   R47        2.14564  -0.00716  -0.00501  -0.02643  -0.03143   2.11420
   R48        2.12749  -0.00636  -0.00294  -0.02171  -0.02466   2.10283
   R49        2.12777  -0.00631  -0.00289  -0.02149  -0.02439   2.10338
   R50        2.12979  -0.00640  -0.00343  -0.02214  -0.02558   2.10421
   R51        2.12700  -0.00600  -0.00277  -0.02091  -0.02368   2.10331
   R52        2.12572  -0.00615  -0.00271  -0.02125  -0.02395   2.10176
   R53        2.12791  -0.00592  -0.00313  -0.02113  -0.02426   2.10365
   R54        2.14501  -0.00566  -0.00516  -0.02315  -0.02831   2.11670
   R55        2.15689  -0.00574  -0.00653  -0.02517  -0.03170   2.12518
   R56        2.64753  -0.00041  -0.00140  -0.00152  -0.00292   2.64461
   R57        2.64791  -0.00099  -0.00111  -0.00232  -0.00342   2.64449
   R58        2.64886  -0.00041  -0.00141  -0.00179  -0.00319   2.64567
   R59        2.64763  -0.00063  -0.00140  -0.00130  -0.00269   2.64495
   R60        2.87360  -0.00175  -0.00864   0.05307   0.04443   2.91803
   R61        2.63244   0.00010   0.00186   0.00028   0.00214   2.63457
   R62        2.09083  -0.00412  -0.00247  -0.01478  -0.01725   2.07358
   R63        2.63299   0.00015   0.00166   0.00008   0.00175   2.63474
   R64        2.09150  -0.00422  -0.00243  -0.01502  -0.01745   2.07406
   R65        2.63210   0.00003   0.00199  -0.00008   0.00192   2.63402
   R66        2.09034  -0.00391  -0.00238  -0.01424  -0.01662   2.07372
   R67        2.63337  -0.00007   0.00176  -0.00033   0.00144   2.63480
   R68        2.09089  -0.00418  -0.00233  -0.01536  -0.01770   2.07319
   R69        2.14392  -0.00505  -0.00405  -0.02450  -0.02855   2.11536
   R70        2.13593  -0.00600  -0.00342  -0.02135  -0.02477   2.11116
   R71        2.63292   0.00144   0.00118   0.00234   0.00352   2.63644
   R72        2.09035  -0.00402  -0.00254  -0.01464  -0.01719   2.07317
   R73        2.63254   0.00146   0.00138   0.00265   0.00403   2.63657
   R74        2.09074  -0.00407  -0.00261  -0.01487  -0.01748   2.07326
   R75        2.09072  -0.00452  -0.00220  -0.01566  -0.01786   2.07286
   R76        2.63279   0.00168   0.00131   0.00269   0.00399   2.63678
   R77        2.08988  -0.00391  -0.00250  -0.01432  -0.01682   2.07305
   R78        2.63146   0.00180   0.00151   0.00304   0.00454   2.63599
   R79        2.08968  -0.00398  -0.00253  -0.01452  -0.01705   2.07264
   R80        2.08961  -0.00427  -0.00208  -0.01481  -0.01689   2.07272
   R81        2.66110  -0.00548  -0.01004   0.02426   0.01425   2.67535
   R82        2.66784   0.00132  -0.00254  -0.00078  -0.00328   2.66456
   R83        2.64837  -0.00155  -0.00240  -0.00118  -0.00358   2.64479
   R84        2.77249   0.01162   0.00410   0.03204   0.03614   2.80863
   R85        2.64520  -0.00144  -0.00052  -0.00600  -0.00653   2.63868
   R86        2.78252   0.00700   0.00048   0.02733   0.02781   2.81033
   R87        2.62939  -0.00082   0.00375  -0.00590  -0.00218   2.62721
   R88        2.09208  -0.00421  -0.00262  -0.01574  -0.01836   2.07372
   R89        2.62955   0.00093   0.00395  -0.00531  -0.00139   2.62816
   R90        2.09184  -0.00438  -0.00250  -0.01573  -0.01823   2.07361
   R91        2.12928  -0.00562  -0.00308  -0.02143  -0.02451   2.10477
   R92        2.13403  -0.00639  -0.00375  -0.02288  -0.02662   2.10741
   R93        2.13127  -0.00568  -0.00344  -0.02007  -0.02351   2.10777
   R94        2.12943  -0.00613  -0.00330  -0.02165  -0.02495   2.10448
   R95        2.13266  -0.00602  -0.00374  -0.02209  -0.02583   2.10683
   R96        2.13347  -0.00595  -0.00385  -0.02217  -0.02602   2.10745
   R97        2.09004  -0.00393  -0.00232  -0.01432  -0.01665   2.07339
    A1        1.87034   0.00305   0.00334   0.01732   0.02067   1.89100
    A2        1.95637   0.01512   0.01059   0.01806   0.02865   1.98502
    A3        2.08829  -0.00208  -0.00399  -0.00647  -0.01038   2.07791
    A4        2.08629  -0.00023  -0.00202  -0.00400  -0.00601   2.08027
    A5        2.09944   0.00236   0.00571   0.00978   0.01538   2.11482
    A6        2.11752   0.00379   0.00626   0.02220   0.02844   2.14596
    A7        2.07227  -0.00221  -0.00671  -0.01616  -0.02290   2.04938
    A8        2.09334  -0.00157   0.00035  -0.00614  -0.00581   2.08753
    A9        2.12334   0.00701   0.01137   0.02842   0.03956   2.16289
   A10        2.05804  -0.00281  -0.00665  -0.01688  -0.02376   2.03427
   A11        2.10106  -0.00420  -0.00439  -0.01043  -0.01504   2.08602
   A12        2.09325   0.00631   0.00588   0.03281   0.03848   2.13173
   A13        2.05736  -0.00301   0.00246  -0.00899  -0.00644   2.05093
   A14        2.12066  -0.00322  -0.00884  -0.02465  -0.03341   2.08725
   A15        2.00590  -0.00010   0.00144   0.00258   0.00423   2.01013
   A16        1.97336  -0.00463  -0.00319  -0.02284  -0.02628   1.94708
   A17        1.85240   0.00169   0.00003   0.00349   0.00311   1.85551
   A18        1.89831   0.00617   0.00032   0.03084   0.03128   1.92959
   A19        1.83286  -0.00154   0.00286   0.00352   0.00655   1.83941
   A20        1.89208  -0.00174  -0.00118  -0.01850  -0.01996   1.87213
   A21        2.04095  -0.00631  -0.00685  -0.03379  -0.04064   2.00030
   A22        1.87910   0.00026   0.00229   0.00564   0.00820   1.88730
   A23        1.86552   0.00310   0.00649   0.02717   0.03352   1.89904
   A24        1.87806   0.00570   0.00291   0.02676   0.02985   1.90791
   A25        1.87071  -0.00044  -0.00144  -0.00912  -0.01030   1.86041
   A26        1.92912  -0.00247  -0.00362  -0.01797  -0.02164   1.90748
   A27        2.03719   0.00584   0.00455   0.02706   0.03145   2.06864
   A28        1.88965  -0.00241   0.00295  -0.00417  -0.00127   1.88838
   A29        1.84831  -0.00152   0.00108   0.00003   0.00096   1.84926
   A30        1.91913  -0.00153  -0.00269  -0.00499  -0.00782   1.91131
   A31        1.87210  -0.00082  -0.00156  -0.00071  -0.00251   1.86959
   A32        1.89189   0.00021  -0.00509  -0.02045  -0.02560   1.86629
   A33        1.98467   0.00018   0.00135   0.00466   0.00572   1.99039
   A34        1.84839  -0.00216   0.00272  -0.00050   0.00179   1.85018
   A35        1.92525  -0.00048  -0.00350  -0.01985  -0.02343   1.90182
   A36        1.90868   0.00545  -0.00346   0.03425   0.03064   1.93932
   A37        1.89592   0.00019   0.00016   0.00289   0.00324   1.89916
   A38        1.89909  -0.00334   0.00287  -0.02234  -0.01961   1.87949
   A39        1.88954   0.00496   0.00593   0.03897   0.04491   1.93445
   A40        1.94047  -0.00252   0.00040  -0.00965  -0.00925   1.93122
   A41        1.90330  -0.00114   0.00183  -0.00126   0.00043   1.90373
   A42        1.92316  -0.00167  -0.00228  -0.00945  -0.01182   1.91134
   A43        1.89637  -0.00060  -0.00300  -0.00757  -0.01091   1.88545
   A44        1.91030   0.00103  -0.00290  -0.01057  -0.01364   1.89666
   A45        1.93954  -0.00336   0.00186  -0.02357  -0.02139   1.91815
   A46        2.00253  -0.00510  -0.00688  -0.02012  -0.02681   1.97573
   A47        1.86234   0.00351   0.00399   0.01999   0.02381   1.88615
   A48        1.88249   0.00821   0.00228   0.04168   0.04388   1.92637
   A49        1.87063  -0.00208   0.00000  -0.00382  -0.00368   1.86695
   A50        1.90187  -0.00123  -0.00095  -0.01428  -0.01528   1.88659
   A51        1.95875   0.00048  -0.00053   0.00534   0.00480   1.96354
   A52        1.92210   0.00011   0.00184   0.00278   0.00463   1.92673
   A53        1.86047   0.00099   0.00631   0.01956   0.02585   1.88633
   A54        1.92247  -0.00078  -0.00233  -0.01234  -0.01471   1.90775
   A55        1.92038  -0.00063  -0.00226  -0.00712  -0.00958   1.91080
   A56        1.87701  -0.00014  -0.00295  -0.00785  -0.01101   1.86601
   A57        2.11942   0.00290   0.00378   0.01516   0.01893   2.13835
   A58        2.12763  -0.00066  -0.00424  -0.00626  -0.01051   2.11713
   A59        2.03595  -0.00225   0.00047  -0.00905  -0.00859   2.02736
   A60        1.97020  -0.00195  -0.00412  -0.01034  -0.01476   1.95544
   A61        1.90576   0.00050  -0.00352  -0.00729  -0.01061   1.89515
   A62        1.88442   0.00115   0.00184   0.01191   0.01384   1.89826
   A63        1.88977   0.00117   0.00431   0.01064   0.01508   1.90485
   A64        1.91681   0.00034   0.00229   0.00313   0.00542   1.92223
   A65        1.89570  -0.00122  -0.00082  -0.00836  -0.00922   1.88648
   A66        1.88694   0.00074   0.00194   0.00570   0.00784   1.89479
   A67        1.91509   0.00067  -0.00037   0.00328   0.00295   1.91804
   A68        1.92085  -0.00080   0.00046  -0.00029  -0.00005   1.92081
   A69        1.92969  -0.00113   0.00036  -0.00287  -0.00265   1.92705
   A70        1.91935   0.00061   0.00066   0.00430   0.00492   1.92427
   A71        1.89208  -0.00010  -0.00303  -0.01004  -0.01302   1.87906
   A72        1.99695  -0.00187  -0.00286   0.00037  -0.00250   1.99445
   A73        1.89091   0.00088   0.00171   0.00790   0.00956   1.90047
   A74        1.86101   0.00183   0.00712   0.02039   0.02746   1.88847
   A75        1.92974  -0.00006  -0.00395  -0.01339  -0.01735   1.91239
   A76        1.89939  -0.00020   0.00192  -0.00551  -0.00372   1.89567
   A77        1.88149  -0.00048  -0.00375  -0.00929  -0.01329   1.86820
   A78        2.09071   0.00528   0.00682   0.02869   0.03549   2.12620
   A79        2.09311  -0.00214  -0.00047  -0.00928  -0.00971   2.08340
   A80        2.09841  -0.00317  -0.00647  -0.02007  -0.02669   2.07172
   A81        1.93525   0.00018  -0.00106   0.00102  -0.00006   1.93518
   A82        1.91134   0.00096   0.00004   0.00608   0.00608   1.91742
   A83        1.91535   0.00370   0.00049   0.02163   0.02206   1.93740
   A84        1.89686  -0.00106   0.00097  -0.00689  -0.00592   1.89094
   A85        1.90353  -0.00156   0.00040  -0.00723  -0.00689   1.89664
   A86        1.90109  -0.00233  -0.00084  -0.01529  -0.01620   1.88489
   A87        1.92749   0.00082  -0.00024   0.00426   0.00400   1.93149
   A88        1.94016  -0.00021  -0.00034  -0.00039  -0.00073   1.93943
   A89        1.90720   0.00167   0.00121   0.01137   0.01255   1.91974
   A90        1.89727  -0.00054  -0.00013  -0.00489  -0.00501   1.89226
   A91        1.89787  -0.00106   0.00000  -0.00505  -0.00509   1.89278
   A92        1.89305  -0.00074  -0.00051  -0.00569  -0.00620   1.88685
   A93        1.96233  -0.00418  -0.00877  -0.03043  -0.03890   1.92343
   A94        1.89514   0.00241  -0.00013   0.00818   0.00814   1.90328
   A95        1.91405   0.00022  -0.00167  -0.00351  -0.00506   1.90899
   A96        1.92296   0.00081   0.00327   0.00775   0.01076   1.93372
   A97        1.87655   0.00227   0.00735   0.02320   0.03036   1.90691
   A98        1.89165  -0.00152   0.00017  -0.00458  -0.00463   1.88702
   A99        2.09951   0.00011  -0.00164  -0.00083  -0.00248   2.09703
   A100       2.10568  -0.00087  -0.00186  -0.00414  -0.00601   2.09967
   A101       2.07797   0.00076   0.00351   0.00501   0.00852   2.08649
   A102       2.10246  -0.00016  -0.00062  -0.00423  -0.00493   2.09753
   A103       2.10539  -0.00074  -0.00353  -0.00033  -0.00394   2.10145
   A104       2.07502   0.00091   0.00426   0.00495   0.00918   2.08420
   A105       2.12714   0.00572   0.01787  -0.02562  -0.00794   2.11920
   A106       2.04271   0.00642   0.01303  -0.01290  -0.00006   2.04265
   A107       2.11327  -0.01213  -0.03086   0.03885   0.00780   2.12107
   A108       2.10075   0.00011  -0.00151  -0.00155  -0.00306   2.09769
   A109       2.08892  -0.00009   0.00153   0.00229   0.00382   2.09274
   A110       2.09352  -0.00002  -0.00002  -0.00073  -0.00076   2.09275
   A111       2.10009   0.00026  -0.00144  -0.00100  -0.00244   2.09765
   A112       2.09462  -0.00041   0.00099   0.00013   0.00111   2.09573
   A113       2.08842   0.00016   0.00046   0.00093   0.00138   2.08980
   A114       2.10190   0.00011  -0.00192  -0.00110  -0.00300   2.09889
   A115       2.08748  -0.00009   0.00172   0.00199   0.00370   2.09118
   A116       2.09377  -0.00002   0.00020  -0.00088  -0.00069   2.09308
   A117       2.10238   0.00010  -0.00192  -0.00149  -0.00339   2.09899
   A118       2.08926  -0.00009   0.00140   0.00313   0.00450   2.09376
   A119       2.09152  -0.00001   0.00052  -0.00159  -0.00110   2.09043
   A120       1.98959  -0.01929  -0.05611   0.07951   0.02349   2.01309
   A121       1.85815   0.00694   0.01942  -0.00641   0.01189   1.87004
   A122       1.94299   0.00625   0.01095  -0.03195  -0.01940   1.92359
   A123       1.85045   0.00562   0.02940  -0.02051   0.00794   1.85838
   A124       1.89702   0.00220  -0.00550  -0.01485  -0.01939   1.87763
   A125       1.92274  -0.00146   0.00269  -0.00656  -0.00345   1.91929
   A126       2.09919  -0.00066  -0.00090  -0.00315  -0.00406   2.09513
   A127       2.09051   0.00026   0.00066   0.00159   0.00225   2.09275
   A128       2.09349   0.00039   0.00024   0.00157   0.00181   2.09530
   A129       2.09961  -0.00070  -0.00100  -0.00351  -0.00451   2.09510
   A130       2.09015   0.00024   0.00070   0.00159   0.00229   2.09244
   A131       2.09343   0.00046   0.00030   0.00193   0.00222   2.09565
   A132       2.08876   0.00022   0.00134   0.00421   0.00555   2.09431
   A133       2.09735  -0.00012  -0.00059  -0.00201  -0.00261   2.09475
   A134       2.09707  -0.00010  -0.00075  -0.00219  -0.00294   2.09412
   A135       2.09963  -0.00069  -0.00098  -0.00328  -0.00426   2.09537
   A136       2.08991   0.00028   0.00087   0.00193   0.00280   2.09271
   A137       2.09363   0.00040   0.00011   0.00135   0.00146   2.09509
   A138       2.09916  -0.00062  -0.00092  -0.00298  -0.00390   2.09527
   A139       2.09094   0.00021   0.00080   0.00154   0.00233   2.09327
   A140       2.09308   0.00041   0.00013   0.00144   0.00157   2.09465
   A141       2.08825   0.00019   0.00148   0.00392   0.00540   2.09365
   A142       2.09748  -0.00013  -0.00076  -0.00210  -0.00286   2.09462
   A143       2.09746  -0.00007  -0.00072  -0.00182  -0.00254   2.09492
   A144       2.08680  -0.01798  -0.02931   0.05823   0.02881   2.11561
   A145       2.07485   0.01692   0.02714  -0.03263  -0.00564   2.06921
   A146       2.11767   0.00104   0.00281  -0.02400  -0.02119   2.09648
   A147       2.06118   0.00218   0.00501   0.00708   0.01202   2.07320
   A148       2.12912  -0.00620  -0.01745   0.03281   0.01518   2.14430
   A149       2.09270   0.00403   0.01254  -0.03946  -0.02709   2.06561
   A150       2.07094  -0.00244  -0.00188   0.01574   0.01390   2.08483
   A151       2.10911   0.00753   0.00310   0.00289   0.00591   2.11502
   A152       2.10313  -0.00510  -0.00125  -0.01868  -0.01999   2.08314
   A153       2.11397  -0.00171  -0.00559   0.00343  -0.00218   2.11179
   A154       2.07898   0.00090   0.00417   0.00148   0.00563   2.08461
   A155       2.09023   0.00081   0.00142  -0.00486  -0.00346   2.08677
   A156       2.10392   0.00110  -0.00105   0.00191   0.00085   2.10477
   A157       2.08380  -0.00052   0.00197   0.00218   0.00415   2.08795
   A158       2.09546  -0.00058  -0.00093  -0.00410  -0.00503   2.09043
   A159       1.93440   0.00174   0.00169   0.00332   0.00500   1.93940
   A160       1.91948   0.00123  -0.00243   0.00199  -0.00043   1.91905
   A161       1.91851   0.00161  -0.00007   0.00820   0.00813   1.92664
   A162       1.89310  -0.00119   0.00290  -0.00612  -0.00323   1.88987
   A163       1.89113  -0.00080   0.00494  -0.00797  -0.00305   1.88809
   A164       1.90666  -0.00272  -0.00711   0.00023  -0.00685   1.89980
   A165       1.93493   0.00039  -0.00174   0.00176   0.00003   1.93496
   A166       1.92235   0.00180  -0.00094   0.00673   0.00578   1.92812
   A167       1.92020   0.00119  -0.00162   0.00342   0.00178   1.92199
   A168       1.90031  -0.00174  -0.00028  -0.00974  -0.01002   1.89030
   A169       1.89400  -0.00135   0.00161  -0.00467  -0.00305   1.89094
   A170       1.89120  -0.00038   0.00312   0.00222   0.00532   1.89652
   A171       2.09794  -0.00018   0.00093  -0.00380  -0.00291   2.09503
   A172       2.09260   0.00006  -0.00045   0.00189   0.00145   2.09405
   A173       2.09260   0.00011  -0.00046   0.00195   0.00150   2.09410
    D1       -1.02693   0.00129   0.00279   0.01985   0.02257  -1.00436
    D2       -3.12321  -0.00412   0.00445  -0.02495  -0.02041   3.13956
    D3        1.10786   0.00130   0.00132   0.01200   0.01330   1.12116
    D4        2.51739  -0.00483  -0.09219  -0.16449  -0.25705   2.26034
    D5       -1.73204  -0.00412  -0.07633  -0.14984  -0.22558  -1.95761
    D6        0.36382   0.00197  -0.05332  -0.17994  -0.23348   0.13034
    D7       -2.07943   0.00513   0.07054   0.14408   0.21489  -1.86453
    D8        1.15527   0.00521   0.06189   0.12619   0.18780   1.34307
    D9        0.80860   0.00204  -0.00089   0.00225   0.00159   0.81019
   D10       -1.30657  -0.00136  -0.00183  -0.01432  -0.01599  -1.32256
   D11        2.90366  -0.00023  -0.00227  -0.01060  -0.01309   2.89057
   D12       -2.18837   0.00144   0.00098   0.00683   0.00794  -2.18043
   D13        1.97965  -0.00195   0.00004  -0.00974  -0.00965   1.97000
   D14       -0.09330  -0.00083  -0.00040  -0.00602  -0.00675  -0.10005
   D15        2.75921  -0.00012   0.00021   0.00070   0.00063   2.75984
   D16       -1.42109   0.00044   0.00057   0.00237   0.00289  -1.41819
   D17        0.63700  -0.00009  -0.00131  -0.00489  -0.00624   0.63076
   D18       -0.52812   0.00026  -0.00236  -0.00508  -0.00769  -0.53581
   D19        1.57477   0.00082  -0.00200  -0.00342  -0.00543   1.56934
   D20       -2.65033   0.00029  -0.00388  -0.01068  -0.01456  -2.66489
   D21       -0.04451  -0.00111   0.00132  -0.00559  -0.00459  -0.04910
   D22       -3.13929  -0.00020   0.00405   0.01079   0.01464  -3.12465
   D23       -3.04053  -0.00133   0.00405   0.00040   0.00411  -3.03643
   D24        0.14787  -0.00042   0.00678   0.01678   0.02333   0.17121
   D25       -1.24873   0.00158  -0.00036   0.00750   0.00706  -1.24167
   D26        2.84064  -0.00289   0.00076  -0.01775  -0.01701   2.82363
   D27        0.76864   0.00075   0.00396   0.01552   0.01952   0.78816
   D28        1.88243   0.00234  -0.00669  -0.00300  -0.00973   1.87270
   D29       -0.31138  -0.00213  -0.00557  -0.02825  -0.03379  -0.34518
   D30       -2.38338   0.00151  -0.00236   0.00502   0.00273  -2.38065
   D31        0.00071   0.00120  -0.01025  -0.01786  -0.02810  -0.02739
   D32        3.12227   0.00016  -0.00953  -0.02638  -0.03598   3.08629
   D33       -3.13033   0.00043  -0.00376  -0.00718  -0.01087  -3.14120
   D34       -0.00876  -0.00061  -0.00304  -0.01570  -0.01875  -0.02751
   D35       -2.24489   0.00311  -0.01396  -0.01986  -0.03359  -2.27849
   D36        1.89704  -0.00134  -0.01328  -0.04158  -0.05509   1.84194
   D37       -0.21119   0.00089  -0.01062  -0.02525  -0.03579  -0.24698
   D38        0.85510   0.00311  -0.00077   0.01035   0.00975   0.86485
   D39       -1.28615  -0.00133  -0.00010  -0.01137  -0.01175  -1.29791
   D40        2.88881   0.00090   0.00256   0.00496   0.00755   2.89636
   D41        0.05097  -0.00004  -0.00245  -0.01141  -0.01373   0.03723
   D42       -3.10440   0.00090   0.00714   0.01868   0.02578  -3.07862
   D43       -3.04802  -0.00009  -0.01594  -0.04223  -0.05813  -3.10615
   D44        0.07981   0.00085  -0.00635  -0.01215  -0.01862   0.06118
   D45        2.98919   0.00081  -0.00877  -0.01411  -0.02332   2.96586
   D46       -0.19928   0.00010  -0.01129  -0.02950  -0.04084  -0.24012
   D47        0.01034   0.00066  -0.00459  -0.00599  -0.01081  -0.00047
   D48        3.10506  -0.00005  -0.00710  -0.02137  -0.02832   3.07674
   D49        0.62527  -0.00050   0.00906   0.02181   0.03109   0.65636
   D50        2.75762  -0.00052   0.00739   0.01734   0.02493   2.78255
   D51       -1.46150  -0.00082   0.00656   0.01460   0.02118  -1.44032
   D52       -2.68511  -0.00028   0.00589   0.01514   0.02108  -2.66403
   D53       -0.55276  -0.00030   0.00422   0.01068   0.01492  -0.53784
   D54        1.51130  -0.00060   0.00340   0.00793   0.01117   1.52247
   D55       -1.14611   0.00101   0.00319   0.00712   0.01022  -1.13590
   D56        1.02951   0.00130   0.00551   0.01717   0.02261   1.05212
   D57        3.05548  -0.00038   0.00158  -0.00847  -0.00703   3.04844
   D58        1.08606  -0.00009   0.00027   0.00447   0.00475   1.09081
   D59       -3.02150   0.00021   0.00259   0.01452   0.01715  -3.00436
   D60       -0.99554  -0.00148  -0.00134  -0.01112  -0.01249  -1.00803
   D61        3.10849  -0.00001   0.00051  -0.00080  -0.00018   3.10831
   D62       -0.99907   0.00028   0.00283   0.00925   0.01222  -0.98686
   D63        1.02689  -0.00140  -0.00110  -0.01638  -0.01743   1.00946
   D64       -1.01144   0.00112   0.00275   0.01820   0.02078  -0.99066
   D65        1.13706   0.00052   0.00071   0.00807   0.00854   1.14560
   D66       -3.11498   0.00097   0.00172   0.01111   0.01257  -3.10241
   D67        3.02131  -0.00021   0.00304   0.00724   0.01033   3.03164
   D68       -1.11338  -0.00081   0.00100  -0.00289  -0.00191  -1.11529
   D69        0.91777  -0.00036   0.00201   0.00014   0.00212   0.91989
   D70        1.03741  -0.00067   0.00014  -0.00314  -0.00272   1.03469
   D71       -3.09727  -0.00127  -0.00190  -0.01327  -0.01496  -3.11224
   D72       -1.06613  -0.00082  -0.00089  -0.01023  -0.01093  -1.07706
   D73       -3.08737  -0.00162   0.00365   0.00079   0.00463  -3.08274
   D74        1.08094  -0.00122   0.00233  -0.00695  -0.00442   1.07653
   D75       -1.02696  -0.00016   0.00449   0.01314   0.01794  -1.00902
   D76       -0.97166  -0.00108   0.00427   0.00630   0.01043  -0.96123
   D77       -3.08653  -0.00068   0.00295  -0.00144   0.00139  -3.08515
   D78        1.08875   0.00038   0.00510   0.01865   0.02375   1.11249
   D79        1.10350  -0.00121   0.00078  -0.00554  -0.00496   1.09854
   D80       -1.01137  -0.00081  -0.00055  -0.01328  -0.01401  -1.02538
   D81       -3.11927   0.00025   0.00161   0.00681   0.00835  -3.11092
   D82        1.51982  -0.00268  -0.00524  -0.02471  -0.02974   1.49008
   D83       -1.60164  -0.00168  -0.00606  -0.01642  -0.02233  -1.62398
   D84       -0.69429   0.00127  -0.00014  -0.00386  -0.00407  -0.69836
   D85        2.46743   0.00227  -0.00096   0.00443   0.00333   2.47077
   D86       -2.73163  -0.00016   0.00188   0.00135   0.00320  -2.72843
   D87        0.43009   0.00084   0.00106   0.00964   0.01061   0.44070
   D88        1.28574   0.00017  -0.00977  -0.03310  -0.04299   1.24276
   D89       -2.93556   0.00129  -0.00786  -0.00729  -0.01514  -2.95070
   D90       -0.86515   0.00052  -0.00629  -0.01283  -0.01908  -0.88423
   D91       -0.87486   0.00022  -0.01503  -0.04414  -0.05924  -0.93410
   D92        1.18702   0.00135  -0.01312  -0.01832  -0.03139   1.15563
   D93       -3.02575   0.00058  -0.01156  -0.02386  -0.03533  -3.06108
   D94       -2.92868   0.00127  -0.00667  -0.01661  -0.02338  -2.95206
   D95       -0.86680   0.00240  -0.00476   0.00920   0.00447  -0.86233
   D96        1.20361   0.00163  -0.00320   0.00366   0.00053   1.20414
   D97       -1.10353   0.00273   0.00931   0.03848   0.04788  -1.05565
   D98        1.10555  -0.00016   0.00346   0.02666   0.03002   1.13557
   D99       -3.13214   0.00153   0.00352   0.02937   0.03296  -3.09918
   D100       3.03445   0.00073   0.00801   0.01376   0.02172   3.05617
   D101      -1.03966  -0.00216   0.00216   0.00194   0.00386  -1.03580
   D102       1.00583  -0.00047   0.00222   0.00465   0.00680   1.01264
   D103       0.96601  -0.00071   0.00816   0.00353   0.01186   0.97787
   D104      -3.10810  -0.00360   0.00231  -0.00829  -0.00600  -3.11410
   D105      -1.06261  -0.00190   0.00237  -0.00558  -0.00306  -1.06567
   D106      -0.96166   0.00032   0.00115   0.00234   0.00345  -0.95821
   D107      -3.05479   0.00090   0.00058   0.00634   0.00692  -3.04787
   D108       1.14238   0.00092   0.00129   0.00814   0.00940   1.15178
   D109       1.16388  -0.00065   0.00402   0.00947   0.01344   1.17732
   D110      -0.92925  -0.00007   0.00345   0.01347   0.01691  -0.91234
   D111      -3.01527  -0.00006   0.00416   0.01527   0.01940  -2.99587
   D112      -3.02649  -0.00077  -0.00268  -0.01381  -0.01645  -3.04294
   D113       1.16356  -0.00018  -0.00325  -0.00981  -0.01298   1.15058
   D114      -0.92245  -0.00017  -0.00254  -0.00801  -0.01049  -0.93295
   D115       1.00701   0.00175   0.00186   0.01578   0.01756   1.02457
   D116      -1.10043   0.00202   0.00241   0.01934   0.02168  -1.07875
   D117       3.09394   0.00199   0.00247   0.01931   0.02172   3.11566
   D118      -1.08804  -0.00172  -0.00433  -0.02056  -0.02486  -1.11289
   D119       3.08771  -0.00146  -0.00378  -0.01701  -0.02073   3.06697
   D120       0.99890  -0.00148  -0.00372  -0.01704  -0.02069   0.97820
   D121       3.11078  -0.00060   0.00249   0.00109   0.00358   3.11436
   D122       1.00334  -0.00034   0.00304   0.00465   0.00770   1.01104
   D123      -1.08547  -0.00036   0.00310   0.00462   0.00774  -1.07773
   D124      -0.85148  -0.00016   0.00440   0.00611   0.01037  -0.84111
   D125       1.31001  -0.00088  -0.00143  -0.00502  -0.00669   1.30332
   D126      -2.95218  -0.00006  -0.00126  -0.00148  -0.00291  -2.95510
   D127      -3.02318   0.00143   0.00506   0.01867   0.02382  -2.99936
   D128      -0.86169   0.00072  -0.00078   0.00754   0.00677  -0.85492
   D129       1.15930   0.00154  -0.00060   0.01108   0.01054   1.16984
   D130       1.23486   0.00010   0.00434   0.00819   0.01270   1.24755
   D131      -2.88684  -0.00061  -0.00150  -0.00294  -0.00436  -2.89120
   D132      -0.86585   0.00020  -0.00132   0.00060  -0.00058  -0.86643
   D133      -1.48070  -0.00029  -0.00309  -0.01137  -0.01444  -1.49515
   D134       1.66954  -0.00037  -0.00470  -0.01737  -0.02203   1.64751
   D135       2.65419  -0.00020  -0.00340  -0.00974  -0.01308   2.64112
   D136      -0.47875  -0.00028  -0.00501  -0.01574  -0.02066  -0.49941
   D137       0.58781   0.00084   0.00299   0.01184   0.01471   0.60253
   D138      -2.54513   0.00076   0.00137   0.00584   0.00713  -2.53800
   D139       0.90661   0.00024   0.00298   0.00760   0.01068   0.91729
   D140       3.01247  -0.00029   0.00439   0.00953   0.01405   3.02652
   D141      -1.19007  -0.00049   0.00071  -0.00095  -0.00016  -1.19023
   D142      -1.20539   0.00004   0.00708   0.01604   0.02316  -1.18223
   D143       0.90047  -0.00048   0.00849   0.01797   0.02654   0.92701
   D144       2.98111  -0.00068   0.00481   0.00748   0.01233   2.99345
   D145       3.01042   0.00064   0.00417   0.01807   0.02218   3.03260
   D146      -1.16691   0.00011   0.00557   0.02000   0.02556  -1.14135
   D147       0.91374  -0.00009   0.00190   0.00951   0.01135   0.92509
   D148      -0.95645   0.00151  -0.00440  -0.00496  -0.00903  -0.96548
   D149      -3.07297   0.00069  -0.00057  -0.00017  -0.00056  -3.07353
   D150       1.15201   0.00074  -0.00702  -0.01248  -0.01956   1.13246
   D151      -3.05318   0.00090  -0.00537  -0.01081  -0.01597  -3.06914
   D152       1.11349   0.00008  -0.00154  -0.00603  -0.00750   1.10599
   D153      -0.94471   0.00013  -0.00799  -0.01833  -0.02649  -0.97121
   D154       1.14117   0.00135  -0.00225   0.00071  -0.00128   1.13989
   D155      -0.97535   0.00053   0.00158   0.00550   0.00719  -0.96816
   D156      -3.03355   0.00058  -0.00487  -0.00681  -0.01181  -3.04536
   D157      -1.35174  -0.00034  -0.00653  -0.01558  -0.02213  -1.37386
   D158       1.81711  -0.00045  -0.01215  -0.03237  -0.04445   1.77267
   D159       2.79089  -0.00009  -0.00366  -0.01586  -0.01951   2.77137
   D160      -0.32345  -0.00020  -0.00927  -0.03265  -0.04183  -0.36528
   D161       0.72749   0.00065   0.00206   0.00669   0.00864   0.73613
   D162      -2.38684   0.00054  -0.00356  -0.01009  -0.01368  -2.40052
   D163      -3.13612  -0.00005  -0.00128  -0.00463  -0.00593   3.14114
   D164       0.00574  -0.00003  -0.00115  -0.00403  -0.00520   0.00054
   D165      -0.00304   0.00002   0.00029   0.00123   0.00153  -0.00151
   D166       3.13882   0.00004   0.00042   0.00183   0.00226   3.14108
   D167       3.13494   0.00009   0.00144   0.00551   0.00695  -3.14129
   D168       0.00447  -0.00005  -0.00013  -0.00083  -0.00096   0.00350
   D169       0.00189   0.00002  -0.00014  -0.00039  -0.00054   0.00136
   D170      -3.12858  -0.00013  -0.00171  -0.00673  -0.00845  -3.13703
   D171      -3.12196   0.00003  -0.00408  -0.01249  -0.01659  -3.13854
   D172       0.02989   0.00005  -0.00466  -0.01334  -0.01802   0.01187
   D173      -0.00715   0.00011   0.00136   0.00393   0.00531  -0.00184
   D174      -3.13849   0.00013   0.00078   0.00308   0.00388  -3.13461
   D175       3.11995   0.00000   0.00457   0.01372   0.01833   3.13828
   D176      -0.01466  -0.00019   0.00132   0.00557   0.00692  -0.00775
   D177       0.00519  -0.00009  -0.00091  -0.00266  -0.00360   0.00159
   D178      -3.12942  -0.00028  -0.00416  -0.01081  -0.01502   3.13875
   D179       2.73123   0.00265   0.00736  -0.00418   0.00420   2.73543
   D180       0.69300   0.00108  -0.00230  -0.02658  -0.02928   0.66371
   D181      -1.37366  -0.00137  -0.01895  -0.00024  -0.01963  -1.39329
   D182      -0.39724   0.00175  -0.00175  -0.03274  -0.03358  -0.43082
   D183      -2.43547   0.00018  -0.01141  -0.05514  -0.06707  -2.50254
   D184       1.78106  -0.00226  -0.02806  -0.02880  -0.05742   1.72364
   D185       0.00139  -0.00002  -0.00016  -0.00076  -0.00092   0.00047
   D186      -3.14110   0.00000  -0.00002  -0.00008  -0.00010  -3.14119
   D187      -3.14047  -0.00004  -0.00028  -0.00136  -0.00165   3.14107
   D188       0.00023  -0.00002  -0.00014  -0.00068  -0.00083  -0.00060
   D189       0.00091  -0.00005  -0.00015  -0.00094  -0.00108  -0.00017
   D190      -3.13847  -0.00008  -0.00040  -0.00207  -0.00247  -3.14093
   D191       3.13143   0.00009   0.00142   0.00538   0.00680   3.13823
   D192      -0.00795   0.00006   0.00117   0.00424   0.00542  -0.00253
   D193       0.00409  -0.00004  -0.00086  -0.00233  -0.00319   0.00091
   D194      -3.13346  -0.00006  -0.00073  -0.00224  -0.00297  -3.13643
   D195       3.13539  -0.00006  -0.00027  -0.00146  -0.00173   3.13366
   D196      -0.00216  -0.00008  -0.00014  -0.00137  -0.00151  -0.00367
   D197      -0.00016  -0.00001  -0.00005  -0.00022  -0.00026  -0.00041
   D198      -3.14093  -0.00003  -0.00087  -0.00218  -0.00305   3.13920
   D199       3.13445   0.00018   0.00321   0.00796   0.01116  -3.13757
   D200      -0.00633   0.00016   0.00238   0.00599   0.00836   0.00204
   D201       0.00144  -0.00001  -0.00014  -0.00058  -0.00072   0.00072
   D202       3.14023   0.00004   0.00020   0.00105   0.00125   3.14148
   D203      -3.13926  -0.00003  -0.00028  -0.00126  -0.00154  -3.14080
   D204      -0.00047   0.00002   0.00006   0.00037   0.00043  -0.00004
   D205      -0.00259   0.00005   0.00029   0.00142   0.00171  -0.00087
   D206      -3.14138   0.00000  -0.00005  -0.00020  -0.00026   3.14155
   D207       3.13679   0.00008   0.00054   0.00256   0.00310   3.13989
   D208      -0.00200   0.00003   0.00020   0.00093   0.00113  -0.00087
   D209       0.00103  -0.00007  -0.00013  -0.00061  -0.00075   0.00029
   D210      -3.14080   0.00000   0.00042   0.00078   0.00119  -3.13960
   D211       3.13858  -0.00005  -0.00026  -0.00070  -0.00096   3.13762
   D212      -0.00325   0.00001   0.00029   0.00069   0.00098  -0.00227
   D213      -0.00300   0.00009   0.00058   0.00188   0.00246  -0.00054
   D214       3.13884   0.00003   0.00003   0.00049   0.00052   3.13936
   D215       3.13778   0.00011   0.00141   0.00385   0.00526  -3.14015
   D216      -0.00357   0.00005   0.00086   0.00246   0.00332  -0.00025
   D217      -3.08467  -0.00061  -0.00146  -0.00790  -0.00992  -3.09459
   D218       0.03618   0.00004   0.00887   0.01560   0.02463   0.06081
   D219      -0.03853   0.00014   0.00850   0.01013   0.01851  -0.02002
   D220       3.08232   0.00079   0.01883   0.03363   0.05305   3.13537
   D221       3.08638  -0.00088   0.00095   0.01437   0.01488   3.10125
   D222      -0.05053  -0.00022   0.00519   0.02642   0.03138  -0.01915
   D223       0.03960   0.00023  -0.00650  -0.00839  -0.01468   0.02492
   D224      -3.09731   0.00089  -0.00226   0.00366   0.00183  -3.09548
   D225       0.01051  -0.00040  -0.00453  -0.00390  -0.00863   0.00188
   D226      -3.13698   0.00008   0.00076   0.00473   0.00533  -3.13165
   D227      -3.11079  -0.00092  -0.01462  -0.02777  -0.04210   3.13030
   D228       0.02491  -0.00044  -0.00934  -0.01914  -0.02814  -0.00323
   D229      -2.85907  -0.00052   0.00139   0.01248   0.01392  -2.84514
   D230       1.33094  -0.00095  -0.00172   0.01670   0.01503   1.34598
   D231      -0.76897   0.00063   0.00860   0.00997   0.01865  -0.75032
   D232       0.26141   0.00012   0.01190   0.03695   0.04878   0.31019
   D233      -1.83176  -0.00030   0.00879   0.04117   0.04989  -1.78187
   D234       2.35151   0.00128   0.01910   0.03444   0.05350   2.40502
   D235      -0.01235  -0.00044   0.00034   0.00038   0.00069  -0.01166
   D236       3.13137   0.00015   0.00206   0.00467   0.00676   3.13814
   D237       3.12458  -0.00106  -0.00386  -0.01157  -0.01544   3.10914
   D238      -0.01489  -0.00048  -0.00213  -0.00728  -0.00937  -0.02426
   D239       2.75295  -0.00019  -0.00272  -0.00545  -0.00812   2.74483
   D240       0.64854   0.00055  -0.00062   0.00117   0.00062   0.64916
   D241      -1.43513  -0.00085  -0.00287  -0.00792  -0.01075  -1.44588
   D242      -0.38387   0.00048   0.00161   0.00673   0.00828  -0.37559
   D243      -2.48828   0.00122   0.00370   0.01335   0.01702  -2.47126
   D244       1.71124  -0.00018   0.00145   0.00426   0.00565   1.71688
   D245       0.01595   0.00020  -0.00147  -0.00320  -0.00458   0.01137
   D246      -3.13634   0.00024   0.00143   0.00034   0.00184  -3.13450
   D247      -3.11970  -0.00028  -0.00679  -0.01190  -0.01858  -3.13828
   D248       0.01119  -0.00025  -0.00388  -0.00836  -0.01217  -0.00097
   D249      -0.01497   0.00025   0.00363   0.00486   0.00854  -0.00643
   D250       3.13732   0.00022   0.00072   0.00132   0.00213   3.13944
   D251       3.12448  -0.00033   0.00190   0.00055   0.00247   3.12695
   D252      -0.00641  -0.00036  -0.00101  -0.00299  -0.00395  -0.01036
         Item               Value     Threshold  Converged?
 Maximum Force            0.019288     0.000450     NO 
 RMS     Force            0.003296     0.000300     NO 
 Maximum Displacement     1.897931     0.001800     NO 
 RMS     Displacement     0.340660     0.001200     NO 
 Predicted change in Energy=-7.421492D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.148887    0.031351   -0.132772
      2          8           0       -3.676210    0.308945    2.107799
      3          8           0       -2.904875    2.600734   -2.129588
      4          8           0        3.364864   -3.329252    0.364552
      5          8           0        4.247049   -0.787986   -2.045830
      6          7           0       -2.996190    2.700368    0.194108
      7          7           0       -3.286255   -0.509531   -0.002847
      8          7           0        2.284239   -1.343219    0.054241
      9          7           0       -1.341318    3.897292   -1.079097
     10          6           0       -2.774929   -1.793716    0.431582
     11          6           0       -4.142834    1.815287    0.235670
     12          6           0       -1.367923   -1.758021    1.078360
     13          6           0       -0.170469   -1.347055    0.207834
     14          6           0       -5.354513    2.368965    1.016355
     15          6           0        1.177440   -1.630737    0.937092
     16          6           0       -2.822627   -2.834709   -0.702205
     17          6           0       -3.692074    0.467768    0.872340
     18          6           0       -2.553078    3.339839    1.422057
     19          6           0       -1.089119    3.781342    1.343962
     20          6           0        1.242714   -0.852403    2.266247
     21          6           0       -2.454890    3.063315   -1.051726
     22          6           0       -6.474620    1.341929    1.076191
     23          6           0       -5.868472    3.641750    0.373289
     24          6           0       -0.902447    4.629471    0.083226
     25          6           0       -4.196846   -3.013111   -1.256423
     26          6           0        2.570872   -0.907320    2.944819
     27          6           0        3.326159   -2.200569   -0.167577
     28          6           0       -5.088815   -3.905162   -0.650495
     29          6           0       -4.602205   -2.291710   -2.384960
     30          6           0        2.941065   -2.042152    3.676387
     31          6           0        3.454299    0.175077    2.861271
     32          6           0        4.522515   -1.803743   -1.059584
     33          6           0       -6.372881   -4.072033   -1.167218
     34          6           0       -5.886667   -2.459981   -2.900471
     35          6           0       -6.772571   -3.349530   -2.291789
     36          6           0        4.179576   -2.093722    4.313790
     37          6           0        4.692732    0.122202    3.499628
     38          6           0        5.056387   -1.011876    4.225842
     39          6           0        5.165258    0.269401   -2.037571
     40          6           0        4.813272    1.542842   -1.528891
     41          6           0        6.432046    0.066637   -2.622632
     42          6           0        5.751732    2.578872   -1.597468
     43          6           0        7.344280    1.122804   -2.668139
     44          6           0        3.493257    1.826260   -0.907433
     45          6           0        6.804907   -1.244835   -3.216494
     46          6           0        7.008135    2.371058   -2.155218
     47          1           0       -3.471170   -2.153493    1.247149
     48          1           0       -4.497217    1.628958   -0.819871
     49          1           0       -1.415622   -1.100502    1.982900
     50          1           0       -1.169633   -2.798666    1.441701
     51          1           0       -0.182695   -1.956554   -0.736490
     52          1           0       -5.038885    2.599880    2.067295
     53          1           0        1.197180   -2.732380    1.175171
     54          1           0       -3.316765   -0.335683   -0.983599
     55          1           0       -2.126102   -2.544379   -1.527262
     56          1           0       -2.455597   -3.809116   -0.294327
     57          1           0       -3.200031    4.239924    1.611013
     58          1           0       -2.695650    2.622928    2.274376
     59          1           0       -0.821853    4.369559    2.250786
     60          1           0       -0.420069    2.886373    1.310849
     61          1           0        0.962960    0.214293    2.075565
     62          1           0        0.470973   -1.275273    2.957105
     63          1           0       -6.755907    1.001945    0.054652
     64          1           0       -7.373366    1.790125    1.556072
     65          1           0       -6.170783    0.454463    1.676168
     66          1           0       -6.165514    3.455865   -0.683138
     67          1           0       -5.092450    4.438400    0.385145
     68          1           0       -6.757586    4.016520    0.928492
     69          1           0        0.172727    4.914501   -0.048685
     70          1           0       -1.505428    5.573920    0.178902
     71          1           0        2.267165   -0.463622   -0.407603
     72          1           0       -0.939001    4.096971   -1.965707
     73          1           0       -0.968701    0.243402   -0.588495
     74          1           0       -4.776960   -4.474190    0.234379
     75          1           0       -3.908304   -1.592986   -2.869612
     76          1           0        2.256234   -2.897182    3.740763
     77          1           0        3.174494    1.067754    2.288178
     78          1           0        4.825830   -2.727954   -1.613564
     79          1           0        5.350560   -1.473520   -0.386245
     80          1           0       -7.068467   -4.772304   -0.688311
     81          1           0       -6.199120   -1.892364   -3.785831
     82          1           0       -7.782911   -3.481178   -2.698108
     83          1           0        4.465710   -2.987776    4.881445
     84          1           0        5.381777    0.972581    3.428746
     85          1           0        6.031569   -1.053965    4.726142
     86          1           0        5.493594    3.567755   -1.197866
     87          1           0        8.332150    0.967347   -3.119838
     88          1           0        3.301625    2.922167   -0.854493
     89          1           0        3.464551    1.415640    0.129015
     90          1           0        2.674725    1.358243   -1.503288
     91          1           0        7.621617   -1.123986   -3.963877
     92          1           0        5.927527   -1.704915   -3.727869
     93          1           0        7.158522   -1.940214   -2.419561
     94          1           0        7.733441    3.193388   -2.194393
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0872408      0.0366753      0.0339610
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3191.4153869646 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.230461949335     A.U. after   16 cycles
             Convg  =    0.4921D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.002542438   -0.002216211    0.002719049
      2        8          -0.000616861   -0.001853658   -0.000281111
      3        8          -0.001628670    0.002541290   -0.003716573
      4        8          -0.000879086   -0.001599528   -0.004008156
      5        8          -0.010073506   -0.004115626    0.007371658
      6        7          -0.006401698   -0.000252799    0.001963551
      7        7           0.004836951   -0.004332286   -0.005182954
      8        7           0.007978685    0.001354690    0.002034339
      9        7           0.009191669   -0.000895648    0.005747229
     10        6           0.006085404    0.000328747    0.001438264
     11        6          -0.000827969   -0.003698884    0.002978499
     12        6           0.006360767    0.003209888   -0.001600452
     13        6          -0.010411463    0.005244133    0.003747705
     14        6          -0.003886390    0.003271454    0.000320285
     15        6           0.001327878   -0.002927010   -0.000081212
     16        6          -0.001008254    0.003295677   -0.000102395
     17        6          -0.000777649    0.001642078    0.002845830
     18        6           0.005453335    0.005393758   -0.007386550
     19        6          -0.001132209    0.002350120    0.001961868
     20        6           0.003211847   -0.002967325    0.001991873
     21        6           0.000048410   -0.006138302    0.001820792
     22        6           0.005303979   -0.001397780    0.000006697
     23        6          -0.000103373   -0.001338266   -0.002123043
     24        6          -0.005541379    0.003398991   -0.010272291
     25        6           0.001435953   -0.004087946    0.001428956
     26        6          -0.000954519    0.005183613   -0.002431543
     27        6           0.009921984    0.001896149   -0.002103623
     28        6           0.000536169    0.002096030    0.000291278
     29        6          -0.002007086    0.000381316   -0.000426709
     30        6           0.001315805   -0.000999264    0.001472162
     31        6          -0.001026604   -0.001736033   -0.001225361
     32        6          -0.001175678    0.003645875    0.008815081
     33        6           0.002457626    0.000235800    0.000516845
     34        6          -0.001450654   -0.002021976   -0.000617537
     35        6           0.000923668   -0.001177604    0.000135047
     36        6           0.001227147    0.001507088    0.001621751
     37        6          -0.002200867    0.000023789   -0.001335631
     38        6          -0.000547925    0.001358871    0.000129054
     39        6          -0.000259781   -0.003445011    0.004037661
     40        6          -0.006898770    0.000347889   -0.006332671
     41        6          -0.002145342    0.002193452   -0.006175431
     42        6          -0.000985538    0.000315427   -0.002332641
     43        6           0.000075286    0.000719410    0.000846641
     44        6           0.003786802   -0.000066918   -0.007818385
     45        6          -0.000880050    0.000133542    0.006057868
     46        6           0.000161146   -0.000123163   -0.000253676
     47        1          -0.002851020   -0.001715669    0.000855077
     48        1           0.002346602    0.002771108   -0.001008907
     49        1           0.001163491    0.001810907    0.003551827
     50        1          -0.000581028   -0.001119834   -0.001945700
     51        1          -0.000234021    0.003375853   -0.002138829
     52        1          -0.000585719   -0.003641487    0.000537758
     53        1          -0.001209244   -0.001825426   -0.002586809
     54        1          -0.001729298   -0.001596332    0.000940228
     55        1           0.003467215    0.000210200    0.000371482
     56        1          -0.001424469   -0.002708617   -0.000939503
     57        1          -0.000540117    0.000379344    0.003223320
     58        1          -0.002031503   -0.001658252   -0.002167241
     59        1          -0.000349869   -0.000174676    0.003258228
     60        1           0.000287240   -0.001506593   -0.002015589
     61        1           0.001521527    0.002244703    0.001924286
     62        1          -0.003082312    0.000455760   -0.001362777
     63        1           0.000919591    0.002085025   -0.001385198
     64        1          -0.001105400    0.000718107    0.002420408
     65        1           0.000324920   -0.002659892   -0.001455904
     66        1           0.000576649    0.002221751   -0.001504060
     67        1           0.002246123   -0.000901224    0.001501050
     68        1          -0.002230351    0.000468528    0.001615807
     69        1           0.001965495   -0.001767122   -0.000988608
     70        1           0.000290276    0.000273093    0.003175818
     71        1           0.001086748    0.000413318    0.000518637
     72        1          -0.002687397    0.000423424    0.001567492
     73        1          -0.000929357    0.000702561   -0.001091736
     74        1          -0.000688285   -0.001844095   -0.000262199
     75        1           0.002066034    0.000048589    0.000198506
     76        1          -0.001448482    0.000678538   -0.001132384
     77        1           0.000536398    0.001626966    0.001300695
     78        1           0.001918253    0.002518135   -0.001853395
     79        1          -0.001076376   -0.003607806   -0.000064079
     80        1          -0.001850685   -0.000053188   -0.000452318
     81        1           0.000864909    0.001702882    0.000333527
     82        1          -0.001052887    0.001666439   -0.000141198
     83        1          -0.000812690   -0.001304759   -0.001074897
     84        1           0.001546233   -0.000401437    0.001047109
     85        1           0.000717352   -0.001716405   -0.000035820
     86        1          -0.000218158    0.000634901    0.002347187
     87        1           0.001718008   -0.000767152   -0.001503137
     88        1           0.001017864    0.000492299    0.002318742
     89        1          -0.002203187   -0.002140331   -0.000025717
     90        1          -0.001347702    0.001598782   -0.001522688
     91        1           0.002687821   -0.000169030   -0.000743965
     92        1          -0.002258505    0.001566028   -0.000551095
     93        1          -0.001755345   -0.001894990   -0.000595602
     94        1           0.001737905   -0.000590760    0.001050130
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010411463 RMS     0.002801806

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.018721638 RMS     0.002577044
 Search for a local minimum.
 Step number   5 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3    4    5
 DE= -2.00D-03 DEPred=-7.42D-03 R= 2.70D-01
 Trust test= 2.70D-01 RLast= 6.58D-01 DXMaxT set to 5.05D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00228   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00230   0.00231   0.00231   0.00238   0.00291
     Eigenvalues ---    0.00428   0.00429   0.00479   0.00484   0.00556
     Eigenvalues ---    0.00625   0.00755   0.00813   0.00820   0.00947
     Eigenvalues ---    0.01139   0.01165   0.01262   0.01377   0.01397
     Eigenvalues ---    0.01434   0.01437   0.01440   0.01450   0.01479
     Eigenvalues ---    0.01491   0.01601   0.02007   0.02032   0.02089
     Eigenvalues ---    0.02118   0.02123   0.02129   0.02144   0.02148
     Eigenvalues ---    0.02150   0.02151   0.02154   0.02162   0.02169
     Eigenvalues ---    0.02171   0.02172   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02182   0.02187   0.02187
     Eigenvalues ---    0.02188   0.02235   0.02418   0.02456   0.02939
     Eigenvalues ---    0.03421   0.03436   0.03639   0.03648   0.03815
     Eigenvalues ---    0.03863   0.03987   0.04254   0.04364   0.04578
     Eigenvalues ---    0.04617   0.04692   0.04750   0.04773   0.04795
     Eigenvalues ---    0.04983   0.05082   0.05149   0.05321   0.05337
     Eigenvalues ---    0.05436   0.05455   0.05569   0.05583   0.05726
     Eigenvalues ---    0.05730   0.05776   0.05985   0.06157   0.06381
     Eigenvalues ---    0.07132   0.07146   0.07209   0.07245   0.07383
     Eigenvalues ---    0.07486   0.07641   0.07684   0.09092   0.09204
     Eigenvalues ---    0.09257   0.09262   0.09503   0.10547   0.11920
     Eigenvalues ---    0.12009   0.12789   0.12845   0.12971   0.14306
     Eigenvalues ---    0.15676   0.15931   0.15997   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16004   0.16033   0.16100   0.16411
     Eigenvalues ---    0.16584   0.16698   0.16777   0.17385   0.17632
     Eigenvalues ---    0.18371   0.18713   0.18889   0.18965   0.19277
     Eigenvalues ---    0.20214   0.21486   0.21961   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22004   0.22091
     Eigenvalues ---    0.22582   0.22889   0.23409   0.23480   0.23507
     Eigenvalues ---    0.23748   0.24607   0.24696   0.24949   0.24966
     Eigenvalues ---    0.24983   0.24992   0.24996   0.24998   0.25000
     Eigenvalues ---    0.25000   0.25051   0.25573   0.26656   0.26911
     Eigenvalues ---    0.27117   0.27269   0.27769   0.28106   0.28167
     Eigenvalues ---    0.28226   0.28440   0.28657   0.28738   0.29834
     Eigenvalues ---    0.29947   0.30189   0.30799   0.31984   0.32469
     Eigenvalues ---    0.33616   0.34403   0.34485   0.34548   0.34572
     Eigenvalues ---    0.34617   0.34648   0.34689   0.34696   0.34700
     Eigenvalues ---    0.34722   0.34725   0.34733   0.34740   0.34742
     Eigenvalues ---    0.34745   0.34752   0.34763   0.34774   0.34782
     Eigenvalues ---    0.34791   0.34798   0.34802   0.34815   0.34825
     Eigenvalues ---    0.34831   0.34836   0.34844   0.34851   0.34878
     Eigenvalues ---    0.34887   0.35202   0.35801   0.35889   0.35900
     Eigenvalues ---    0.35920   0.35942   0.35967   0.35979   0.35985
     Eigenvalues ---    0.35998   0.36002   0.36013   0.36025   0.36033
     Eigenvalues ---    0.36066   0.36575   0.38399   0.40804   0.41580
     Eigenvalues ---    0.42173   0.42265   0.42321   0.42370   0.42753
     Eigenvalues ---    0.43219   0.44792   0.45659   0.45909   0.45992
     Eigenvalues ---    0.46023   0.46069   0.46097   0.46137   0.46346
     Eigenvalues ---    0.46417   0.46760   0.46764   0.46775   0.46919
     Eigenvalues ---    0.47159   0.48262   0.49202   0.53057   0.55489
     Eigenvalues ---    0.56045   0.58372   0.90376   0.90548   0.92599
     Eigenvalues ---    1.148151000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-6.77742763D-03 EMin= 2.27733697D-03
 Quartic linear search produced a step of -0.44545.
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.878
 Iteration  1 RMS(Cart)=  0.24614568 RMS(Int)=  0.00962853
 Iteration  2 RMS(Cart)=  0.04911422 RMS(Int)=  0.00045323
 Iteration  3 RMS(Cart)=  0.00220755 RMS(Int)=  0.00008022
 Iteration  4 RMS(Cart)=  0.00000239 RMS(Int)=  0.00008021
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00008021
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68346  -0.00129  -0.00069  -0.00084  -0.00152   2.68194
    R2        1.81723   0.00073   0.00105  -0.00007   0.00098   1.81821
    R3        2.35408   0.00167   0.00206  -0.00026   0.00181   2.35589
    R4        2.37403   0.00423   0.00392  -0.00022   0.00370   2.37773
    R5        2.35920   0.00381   0.00334   0.00005   0.00339   2.36259
    R6        2.72562  -0.01495  -0.00761  -0.01326  -0.02087   2.70474
    R7        2.64645  -0.01176   0.00097  -0.01218  -0.01121   2.63524
    R8        2.73840  -0.00487  -0.00990   0.00036  -0.00954   2.72886
    R9        2.74702  -0.00726  -0.01553   0.00155  -0.01389   2.73313
   R10        2.65696   0.00084   0.00713  -0.00349   0.00370   2.66066
   R11        2.73803  -0.00581  -0.00979   0.00096  -0.00883   2.72919
   R12        2.59503   0.00097   0.00323  -0.00027   0.00295   2.59798
   R13        1.88313  -0.00248  -0.00771   0.00224  -0.00547   1.87766
   R14        2.73005   0.00007  -0.00391   0.00089  -0.00302   2.72703
   R15        2.58406   0.00029   0.00357  -0.00031   0.00326   2.58731
   R16        1.87767   0.00119  -0.00375   0.00459   0.00085   1.87852
   R17        2.62958   0.00299   0.00622  -0.00157   0.00462   2.63420
   R18        2.72520  -0.00553  -0.01295   0.00298  -0.01006   2.71514
   R19        1.87817  -0.00258  -0.00923   0.00299  -0.00624   1.87194
   R20        2.92710  -0.01170  -0.01937   0.00152  -0.01785   2.90925
   R21        2.91006  -0.00110   0.00327  -0.00285   0.00043   2.91049
   R22        2.13743   0.00322   0.01830  -0.00586   0.01245   2.14988
   R23        2.91789  -0.00129   0.00018  -0.00151  -0.00133   2.91656
   R24        2.94236  -0.00111   0.00109  -0.00220  -0.00111   2.94125
   R25        2.13336   0.00331   0.01812  -0.00590   0.01222   2.14558
   R26        2.90343  -0.01423  -0.02651   0.00164  -0.02487   2.87856
   R27        2.11514   0.00205   0.01367  -0.00508   0.00859   2.12373
   R28        2.11639   0.00225   0.01380  -0.00492   0.00888   2.12527
   R29        2.94528   0.00175   0.01375  -0.00482   0.00893   2.95421
   R30        2.12406   0.00347   0.01684  -0.00603   0.01081   2.13487
   R31        2.87401  -0.00486  -0.00796  -0.00014  -0.00810   2.86592
   R32        2.86446   0.00016  -0.00309   0.00028  -0.00281   2.86165
   R33        2.11904   0.00342   0.01721  -0.00601   0.01120   2.13024
   R34        2.91332  -0.00149   0.00118  -0.00425  -0.00306   2.91025
   R35        2.13019   0.00329   0.01802  -0.00617   0.01185   2.14205
   R36        2.82036  -0.00331  -0.01068   0.00177  -0.00891   2.81145
   R37        2.11291   0.00327   0.01421  -0.00485   0.00936   2.12227
   R38        2.11324   0.00289   0.01345  -0.00435   0.00910   2.12234
   R39        2.89332  -0.00152  -0.00539   0.00175  -0.00364   2.88967
   R40        2.12492   0.00314   0.01620  -0.00518   0.01102   2.13594
   R41        2.12183   0.00301   0.01520  -0.00469   0.01051   2.13235
   R42        2.89296  -0.00064  -0.00345   0.00224  -0.00124   2.89173
   R43        2.10411   0.00260   0.01043  -0.00328   0.00715   2.11126
   R44        2.11252   0.00252   0.01091  -0.00330   0.00761   2.12013
   R45        2.82037  -0.00448  -0.01249   0.00129  -0.01120   2.80917
   R46        2.11486   0.00314   0.01450  -0.00498   0.00952   2.12437
   R47        2.11420   0.00292   0.01400  -0.00452   0.00949   2.12369
   R48        2.10283   0.00261   0.01098  -0.00366   0.00733   2.11016
   R49        2.10338   0.00264   0.01086  -0.00359   0.00727   2.11066
   R50        2.10421   0.00257   0.01139  -0.00383   0.00756   2.11177
   R51        2.10331   0.00274   0.01055  -0.00328   0.00727   2.11059
   R52        2.10176   0.00284   0.01067  -0.00329   0.00738   2.10914
   R53        2.10365   0.00276   0.01081  -0.00329   0.00752   2.11117
   R54        2.11670   0.00261   0.01261  -0.00374   0.00887   2.12557
   R55        2.12518   0.00293   0.01412  -0.00391   0.01021   2.13540
   R56        2.64461   0.00003   0.00130  -0.00059   0.00071   2.64532
   R57        2.64449   0.00037   0.00152  -0.00062   0.00090   2.64539
   R58        2.64567   0.00002   0.00142  -0.00064   0.00079   2.64646
   R59        2.64495  -0.00038   0.00120  -0.00094   0.00026   2.64521
   R60        2.91803  -0.01833  -0.01979  -0.01929  -0.03908   2.87895
   R61        2.63457   0.00012  -0.00095   0.00049  -0.00046   2.63412
   R62        2.07358   0.00197   0.00768  -0.00228   0.00540   2.07898
   R63        2.63474   0.00025  -0.00078   0.00053  -0.00024   2.63449
   R64        2.07406   0.00206   0.00777  -0.00229   0.00548   2.07954
   R65        2.63402   0.00018  -0.00085   0.00050  -0.00035   2.63367
   R66        2.07372   0.00193   0.00740  -0.00215   0.00526   2.07898
   R67        2.63480   0.00027  -0.00064   0.00042  -0.00021   2.63459
   R68        2.07319   0.00210   0.00788  -0.00221   0.00568   2.07887
   R69        2.11536   0.00209   0.01272  -0.00341   0.00931   2.12467
   R70        2.11116   0.00273   0.01103  -0.00347   0.00756   2.11872
   R71        2.63644  -0.00022  -0.00157   0.00088  -0.00069   2.63575
   R72        2.07317   0.00191   0.00766  -0.00228   0.00538   2.07855
   R73        2.63657  -0.00039  -0.00179   0.00086  -0.00094   2.63563
   R74        2.07326   0.00194   0.00779  -0.00231   0.00547   2.07873
   R75        2.07286   0.00198   0.00796  -0.00252   0.00544   2.07830
   R76        2.63678  -0.00031  -0.00178   0.00101  -0.00077   2.63601
   R77        2.07305   0.00187   0.00749  -0.00222   0.00528   2.07833
   R78        2.63599  -0.00041  -0.00202   0.00107  -0.00096   2.63503
   R79        2.07264   0.00191   0.00759  -0.00225   0.00534   2.07798
   R80        2.07272   0.00186   0.00752  -0.00238   0.00514   2.07786
   R81        2.67535  -0.01550  -0.00635  -0.01523  -0.02155   2.65380
   R82        2.66456  -0.00353   0.00146  -0.00205  -0.00057   2.66399
   R83        2.64479   0.00031   0.00160  -0.00142   0.00019   2.64497
   R84        2.80863  -0.00481  -0.01610   0.00698  -0.00912   2.79951
   R85        2.63868   0.00185   0.00291   0.00037   0.00326   2.64194
   R86        2.81033  -0.00416  -0.01239   0.00301  -0.00938   2.80096
   R87        2.62721   0.00359   0.00097   0.00271   0.00367   2.63087
   R88        2.07372   0.00238   0.00818  -0.00210   0.00608   2.07980
   R89        2.62816   0.00289   0.00062   0.00346   0.00405   2.63221
   R90        2.07361   0.00238   0.00812  -0.00219   0.00593   2.07954
   R91        2.10477   0.00255   0.01092  -0.00322   0.00770   2.11246
   R92        2.10741   0.00305   0.01186  -0.00357   0.00829   2.11570
   R93        2.10777   0.00251   0.01047  -0.00341   0.00706   2.11483
   R94        2.10448   0.00277   0.01111  -0.00346   0.00765   2.11213
   R95        2.10683   0.00257   0.01151  -0.00364   0.00787   2.11470
   R96        2.10745   0.00254   0.01159  -0.00364   0.00795   2.11540
   R97        2.07339   0.00211   0.00742  -0.00202   0.00540   2.07879
    A1        1.89100  -0.00252  -0.00921   0.00129  -0.00791   1.88309
    A2        1.98502  -0.00407  -0.01276   0.01292   0.00016   1.98517
    A3        2.07791   0.00074   0.00462  -0.00226   0.00235   2.08026
    A4        2.08027   0.00018   0.00268  -0.00077   0.00192   2.08219
    A5        2.11482  -0.00090  -0.00685   0.00469  -0.00226   2.11257
    A6        2.14596  -0.00261  -0.01267   0.00257  -0.01030   2.13566
    A7        2.04938   0.00167   0.01020  -0.00113   0.00886   2.05824
    A8        2.08753   0.00096   0.00259  -0.00069   0.00169   2.08922
    A9        2.16289  -0.00278  -0.01762   0.00658  -0.01130   2.15160
   A10        2.03427   0.00179   0.01058  -0.00174   0.00859   2.04286
   A11        2.08602   0.00099   0.00670  -0.00479   0.00165   2.08767
   A12        2.13173  -0.00323  -0.01714   0.00973  -0.00778   2.12395
   A13        2.05093   0.00101   0.00287  -0.00427  -0.00131   2.04962
   A14        2.08725   0.00229   0.01488  -0.00314   0.01185   2.09911
   A15        2.01013  -0.00160  -0.00188  -0.00024  -0.00220   2.00793
   A16        1.94708   0.00330   0.01171  -0.00021   0.01160   1.95867
   A17        1.85551  -0.00027  -0.00138   0.00031  -0.00095   1.85456
   A18        1.92959  -0.00266  -0.01393   0.00654  -0.00744   1.92215
   A19        1.83941   0.00069  -0.00292  -0.00339  -0.00638   1.83303
   A20        1.87213   0.00066   0.00889  -0.00390   0.00507   1.87719
   A21        2.00030   0.00290   0.01810  -0.00649   0.01162   2.01193
   A22        1.88730  -0.00003  -0.00365   0.00075  -0.00301   1.88429
   A23        1.89904  -0.00200  -0.01493  -0.00105  -0.01591   1.88313
   A24        1.90791  -0.00274  -0.01330   0.00569  -0.00768   1.90024
   A25        1.86041   0.00048   0.00459   0.00026   0.00476   1.86516
   A26        1.90748   0.00140   0.00964   0.00105   0.01071   1.91818
   A27        2.06864  -0.00681  -0.01401  -0.00181  -0.01580   2.05284
   A28        1.88838   0.00190   0.00056  -0.00406  -0.00352   1.88486
   A29        1.84926   0.00178  -0.00043   0.00044   0.00009   1.84936
   A30        1.91131   0.00181   0.00348  -0.00098   0.00246   1.91377
   A31        1.86959   0.00171   0.00112   0.00318   0.00436   1.87395
   A32        1.86629   0.00015   0.01140   0.00414   0.01555   1.88184
   A33        1.99039  -0.00201  -0.00255  -0.00017  -0.00260   1.98779
   A34        1.85018   0.00350  -0.00080   0.00291   0.00226   1.85244
   A35        1.90182   0.00027   0.01044  -0.00250   0.00797   1.90979
   A36        1.93932  -0.00355  -0.01365   0.00337  -0.01023   1.92909
   A37        1.89916   0.00086  -0.00144   0.00364   0.00210   1.90127
   A38        1.87949   0.00117   0.00873  -0.00795   0.00083   1.88032
   A39        1.93445  -0.00330  -0.02000   0.00221  -0.01779   1.91665
   A40        1.93122   0.00146   0.00412  -0.00369   0.00044   1.93165
   A41        1.90373   0.00013  -0.00019  -0.00541  -0.00552   1.89821
   A42        1.91134   0.00109   0.00527  -0.00056   0.00468   1.91602
   A43        1.88545   0.00080   0.00486   0.00443   0.00933   1.89479
   A44        1.89666  -0.00014   0.00608   0.00323   0.00933   1.90599
   A45        1.91815   0.00324   0.00953  -0.00095   0.00847   1.92661
   A46        1.97573   0.00198   0.01194  -0.00492   0.00696   1.98269
   A47        1.88615  -0.00209  -0.01060   0.00167  -0.00888   1.87727
   A48        1.92637  -0.00518  -0.01955   0.00506  -0.01446   1.91191
   A49        1.86695   0.00053   0.00164  -0.00310  -0.00148   1.86547
   A50        1.88659   0.00148   0.00681   0.00229   0.00911   1.89569
   A51        1.96354  -0.00016  -0.00214  -0.00029  -0.00242   1.96112
   A52        1.92673  -0.00053  -0.00206  -0.00110  -0.00316   1.92356
   A53        1.88633  -0.00116  -0.01152  -0.00077  -0.01229   1.87404
   A54        1.90775   0.00073   0.00655   0.00001   0.00657   1.91432
   A55        1.91080   0.00059   0.00427  -0.00019   0.00412   1.91492
   A56        1.86601   0.00056   0.00490   0.00250   0.00746   1.87346
   A57        2.13835  -0.00143  -0.00843   0.00210  -0.00636   2.13199
   A58        2.11713   0.00076   0.00468  -0.00075   0.00389   2.12102
   A59        2.02736   0.00068   0.00383  -0.00183   0.00196   2.02932
   A60        1.95544   0.00120   0.00658   0.00381   0.01027   1.96571
   A61        1.89515   0.00008   0.00473   0.00344   0.00817   1.90332
   A62        1.89826  -0.00078  -0.00616  -0.00229  -0.00843   1.88983
   A63        1.90485  -0.00079  -0.00672   0.00143  -0.00533   1.89951
   A64        1.92223  -0.00019  -0.00242  -0.00269  -0.00503   1.91720
   A65        1.88648   0.00046   0.00411  -0.00390   0.00019   1.88668
   A66        1.89479  -0.00010  -0.00349   0.00811   0.00438   1.89916
   A67        1.91804  -0.00032  -0.00131  -0.00319  -0.00439   1.91365
   A68        1.92081   0.00010   0.00002  -0.00093  -0.00085   1.91996
   A69        1.92705   0.00015   0.00118  -0.00655  -0.00530   1.92175
   A70        1.92427  -0.00031  -0.00219   0.00117  -0.00093   1.92334
   A71        1.87906   0.00048   0.00580   0.00122   0.00698   1.88604
   A72        1.99445  -0.00011   0.00111  -0.00347  -0.00238   1.99207
   A73        1.90047  -0.00035  -0.00426   0.00243  -0.00180   1.89867
   A74        1.88847  -0.00153  -0.01223  -0.00226  -0.01450   1.87396
   A75        1.91239   0.00073   0.00773   0.00293   0.01066   1.92305
   A76        1.89567   0.00066   0.00166  -0.00234  -0.00072   1.89495
   A77        1.86820   0.00064   0.00592   0.00306   0.00906   1.87726
   A78        2.12620  -0.00303  -0.01581   0.00279  -0.01290   2.11330
   A79        2.08340   0.00133   0.00433  -0.00200   0.00243   2.08583
   A80        2.07172   0.00172   0.01189  -0.00087   0.01085   2.08257
   A81        1.93518  -0.00026   0.00003  -0.00034  -0.00030   1.93489
   A82        1.91742  -0.00061  -0.00271   0.00021  -0.00249   1.91493
   A83        1.93740  -0.00200  -0.00982   0.00356  -0.00624   1.93116
   A84        1.89094   0.00057   0.00264  -0.00195   0.00068   1.89163
   A85        1.89664   0.00098   0.00307  -0.00029   0.00280   1.89945
   A86        1.88489   0.00143   0.00722  -0.00135   0.00589   1.89078
   A87        1.93149  -0.00018  -0.00178   0.00098  -0.00079   1.93070
   A88        1.93943   0.00029   0.00033   0.00005   0.00038   1.93981
   A89        1.91974  -0.00061  -0.00559   0.00190  -0.00368   1.91606
   A90        1.89226   0.00008   0.00223  -0.00087   0.00136   1.89362
   A91        1.89278   0.00026   0.00227  -0.00130   0.00098   1.89377
   A92        1.88685   0.00018   0.00276  -0.00088   0.00189   1.88874
   A93        1.92343   0.00216   0.01733   0.00516   0.02212   1.94554
   A94        1.90328  -0.00077  -0.00363   0.00164  -0.00185   1.90144
   A95        1.90899   0.00008   0.00226   0.00096   0.00320   1.91219
   A96        1.93372  -0.00040  -0.00479  -0.00277  -0.00746   1.92626
   A97        1.90691  -0.00148  -0.01352   0.00077  -0.01268   1.89423
   A98        1.88702   0.00037   0.00206  -0.00594  -0.00389   1.88313
   A99        2.09703   0.00010   0.00111   0.00003   0.00113   2.09816
   A100       2.09967   0.00047   0.00268  -0.00062   0.00205   2.10172
   A101       2.08649  -0.00057  -0.00380   0.00059  -0.00321   2.08328
   A102       2.09753   0.00040   0.00220   0.00018   0.00232   2.09984
   A103       2.10145   0.00004   0.00176  -0.00118   0.00052   2.10196
   A104       2.08420  -0.00045  -0.00409   0.00094  -0.00318   2.08103
   A105       2.11920   0.00869   0.00354   0.01730   0.02077   2.13996
   A106       2.04265   0.00417   0.00002   0.01284   0.01280   2.05545
   A107       2.12107  -0.01284  -0.00348  -0.02979  -0.03333   2.08774
   A108       2.09769   0.00019   0.00136   0.00003   0.00140   2.09909
   A109       2.09274  -0.00034  -0.00170  -0.00039  -0.00210   2.09064
   A110       2.09275   0.00015   0.00034   0.00036   0.00070   2.09345
   A111       2.09765   0.00012   0.00109   0.00012   0.00121   2.09886
   A112       2.09573  -0.00011  -0.00050  -0.00058  -0.00107   2.09466
   A113       2.08980  -0.00001  -0.00061   0.00045  -0.00017   2.08963
   A114       2.09889   0.00012   0.00134  -0.00010   0.00125   2.10014
   A115       2.09118  -0.00029  -0.00165  -0.00031  -0.00197   2.08921
   A116       2.09308   0.00017   0.00031   0.00041   0.00071   2.09378
   A117       2.09899   0.00020   0.00151  -0.00005   0.00147   2.10046
   A118       2.09376  -0.00044  -0.00201  -0.00050  -0.00251   2.09125
   A119       2.09043   0.00024   0.00049   0.00056   0.00104   2.09146
   A120       2.01309  -0.01872  -0.01047  -0.04912  -0.05953   1.95355
   A121       1.87004   0.00202  -0.00529   0.00628   0.00068   1.87072
   A122       1.92359   0.00834   0.00864   0.02486   0.03367   1.95726
   A123       1.85838   0.00618  -0.00354   0.01143   0.00760   1.86598
   A124       1.87763   0.00316   0.00864   0.00894   0.01784   1.89548
   A125       1.91929  -0.00074   0.00154  -0.00204  -0.00075   1.91854
   A126       2.09513   0.00037   0.00181  -0.00040   0.00140   2.09653
   A127       2.09275  -0.00018  -0.00100   0.00012  -0.00088   2.09187
   A128       2.09530  -0.00019  -0.00081   0.00029  -0.00052   2.09478
   A129       2.09510   0.00034   0.00201  -0.00050   0.00151   2.09661
   A130       2.09244  -0.00017  -0.00102   0.00009  -0.00093   2.09151
   A131       2.09565  -0.00017  -0.00099   0.00041  -0.00058   2.09507
   A132       2.09431  -0.00044  -0.00247   0.00016  -0.00232   2.09199
   A133       2.09475   0.00020   0.00116  -0.00012   0.00104   2.09579
   A134       2.09412   0.00024   0.00131  -0.00003   0.00128   2.09540
   A135       2.09537   0.00031   0.00190  -0.00048   0.00142   2.09679
   A136       2.09271  -0.00017  -0.00125   0.00014  -0.00111   2.09160
   A137       2.09509  -0.00013  -0.00065   0.00035  -0.00031   2.09479
   A138       2.09527   0.00030   0.00174  -0.00044   0.00129   2.09656
   A139       2.09327  -0.00017  -0.00104   0.00005  -0.00099   2.09228
   A140       2.09465  -0.00013  -0.00070   0.00040  -0.00030   2.09435
   A141       2.09365  -0.00048  -0.00240   0.00013  -0.00227   2.09137
   A142       2.09462   0.00025   0.00127  -0.00010   0.00117   2.09579
   A143       2.09492   0.00023   0.00113  -0.00003   0.00110   2.09602
   A144       2.11561  -0.01035  -0.01283  -0.03285  -0.04579   2.06981
   A145       2.06921   0.00310   0.00251   0.02430   0.02659   2.09580
   A146       2.09648   0.00720   0.00944   0.00718   0.01656   2.11303
   A147       2.07320  -0.00040  -0.00535   0.00191  -0.00347   2.06973
   A148       2.14430  -0.00718  -0.00676  -0.01564  -0.02252   2.12178
   A149       2.06561   0.00759   0.01207   0.01395   0.02590   2.09150
   A150       2.08483  -0.00250  -0.00619  -0.00522  -0.01138   2.07346
   A151       2.11502  -0.00202  -0.00263   0.00606   0.00341   2.11844
   A152       2.08314   0.00452   0.00891  -0.00078   0.00811   2.09124
   A153       2.11179  -0.00120   0.00097  -0.00376  -0.00278   2.10901
   A154       2.08461   0.00015  -0.00251   0.00138  -0.00115   2.08346
   A155       2.08677   0.00105   0.00154   0.00243   0.00395   2.09072
   A156       2.10477  -0.00221  -0.00038  -0.00036  -0.00076   2.10401
   A157       2.08795   0.00071  -0.00185  -0.00028  -0.00212   2.08583
   A158       2.09043   0.00150   0.00224   0.00063   0.00288   2.09332
   A159       1.93940  -0.00032  -0.00223   0.00171  -0.00051   1.93889
   A160       1.91905   0.00000   0.00019   0.00205   0.00224   1.92129
   A161       1.92664  -0.00018  -0.00362   0.00263  -0.00098   1.92566
   A162       1.88987   0.00024   0.00144  -0.00205  -0.00061   1.88926
   A163       1.88809   0.00051   0.00136  -0.00091   0.00046   1.88854
   A164       1.89980  -0.00025   0.00305  -0.00369  -0.00064   1.89917
   A165       1.93496   0.00015  -0.00001   0.00072   0.00071   1.93567
   A166       1.92812  -0.00069  -0.00257   0.00196  -0.00061   1.92751
   A167       1.92199  -0.00039  -0.00079   0.00106   0.00027   1.92226
   A168       1.89030   0.00082   0.00446  -0.00129   0.00317   1.89347
   A169       1.89094   0.00040   0.00136  -0.00184  -0.00048   1.89047
   A170       1.89652  -0.00027  -0.00237  -0.00075  -0.00311   1.89341
   A171       2.09503  -0.00089   0.00130   0.00002   0.00129   2.09632
   A172       2.09405   0.00046  -0.00065  -0.00004  -0.00068   2.09337
   A173       2.09410   0.00043  -0.00067   0.00000  -0.00066   2.09343
    D1       -1.00436  -0.00124  -0.01006  -0.01522  -0.02525  -1.02960
    D2        3.13956   0.00200   0.00909  -0.02143  -0.01237   3.12720
    D3        1.12116  -0.00130  -0.00592  -0.01249  -0.01841   1.10275
    D4        2.26034  -0.00011   0.11450   0.11358   0.22774   2.48808
    D5       -1.95761  -0.00223   0.10048   0.10266   0.20318  -1.75444
    D6        0.13034   0.00280   0.10400   0.11799   0.22231   0.35265
    D7       -1.86453  -0.00179  -0.09572  -0.06535  -0.16094  -2.02548
    D8        1.34307  -0.00113  -0.08365  -0.04204  -0.12582   1.21724
    D9        0.81019  -0.00080  -0.00071   0.00552   0.00475   0.81494
   D10       -1.32256   0.00080   0.00712   0.00200   0.00909  -1.31347
   D11        2.89057   0.00026   0.00583   0.00090   0.00682   2.89739
   D12       -2.18043  -0.00087  -0.00353  -0.00715  -0.01074  -2.19118
   D13        1.97000   0.00072   0.00430  -0.01068  -0.00640   1.96360
   D14       -0.10005   0.00018   0.00301  -0.01177  -0.00867  -0.10872
   D15        2.75984   0.00011  -0.00028   0.00309   0.00288   2.76272
   D16       -1.41819  -0.00006  -0.00129   0.00959   0.00832  -1.40987
   D17        0.63076   0.00010   0.00278   0.00557   0.00838   0.63914
   D18       -0.53581   0.00029   0.00343   0.01552   0.01903  -0.51679
   D19        1.56934   0.00012   0.00242   0.02202   0.02447   1.59381
   D20       -2.66489   0.00028   0.00649   0.01800   0.02453  -2.64036
   D21       -0.04910  -0.00016   0.00204  -0.01107  -0.00893  -0.05803
   D22       -3.12465  -0.00050  -0.00652  -0.00947  -0.01595  -3.14060
   D23       -3.03643  -0.00038  -0.00183  -0.02339  -0.02514  -3.06157
   D24        0.17121  -0.00072  -0.01039  -0.02179  -0.03216   0.13905
   D25       -1.24167  -0.00083  -0.00314  -0.00045  -0.00358  -1.24526
   D26        2.82363   0.00130   0.00758  -0.00918  -0.00162   2.82202
   D27        0.78816  -0.00106  -0.00869  -0.00458  -0.01331   0.77485
   D28        1.87270  -0.00011   0.00433   0.03115   0.03552   1.90823
   D29       -0.34518   0.00203   0.01505   0.02242   0.03749  -0.30769
   D30       -2.38065  -0.00034  -0.00122   0.02702   0.02579  -2.35486
   D31       -0.02739   0.00124   0.01252   0.04221   0.05465   0.02726
   D32        3.08629   0.00120   0.01603   0.02281   0.03887   3.12516
   D33       -3.14120   0.00049   0.00484   0.00995   0.01477  -3.12643
   D34       -0.02751   0.00045   0.00835  -0.00944  -0.00102  -0.02853
   D35       -2.27849   0.00000   0.01496   0.06898   0.08389  -2.19460
   D36        1.84194   0.00287   0.02454   0.06665   0.09130   1.93324
   D37       -0.24698   0.00121   0.01594   0.06570   0.08164  -0.16533
   D38        0.86485  -0.00079  -0.00434   0.03678   0.03235   0.89720
   D39       -1.29791   0.00208   0.00524   0.03446   0.03976  -1.25815
   D40        2.89636   0.00042  -0.00336   0.03351   0.03010   2.92646
   D41        0.03723   0.00042   0.00612   0.00322   0.00941   0.04664
   D42       -3.07862  -0.00056  -0.01148  -0.01359  -0.02508  -3.10370
   D43       -3.10615   0.00122   0.02589   0.03632   0.06222  -3.04393
   D44        0.06118   0.00025   0.00830   0.01951   0.02773   0.08891
   D45        2.96586   0.00134   0.01039   0.03388   0.04434   3.01021
   D46       -0.24012   0.00150   0.01819   0.03250   0.05065  -0.18947
   D47       -0.00047   0.00063   0.00482   0.01914   0.02407   0.02360
   D48        3.07674   0.00079   0.01262   0.01777   0.03037   3.10711
   D49        0.65636  -0.00137  -0.01385  -0.03598  -0.04991   0.60645
   D50        2.78255  -0.00099  -0.01110  -0.03507  -0.04623   2.73633
   D51       -1.44032  -0.00094  -0.00943  -0.04073  -0.05015  -1.49047
   D52       -2.66403  -0.00079  -0.00939  -0.02101  -0.03042  -2.69445
   D53       -0.53784  -0.00041  -0.00665  -0.02011  -0.02674  -0.56458
   D54        1.52247  -0.00036  -0.00498  -0.02577  -0.03066   1.49181
   D55       -1.13590  -0.00065  -0.00455  -0.02114  -0.02566  -1.16156
   D56        1.05212  -0.00181  -0.01007  -0.02757  -0.03759   1.01453
   D57        3.04844   0.00011   0.00313  -0.02448  -0.02130   3.02715
   D58        1.09081   0.00024  -0.00212  -0.01586  -0.01801   1.07280
   D59       -3.00436  -0.00092  -0.00764  -0.02230  -0.02994  -3.03430
   D60       -1.00803   0.00100   0.00557  -0.01921  -0.01364  -1.02168
   D61        3.10831   0.00011   0.00008  -0.01913  -0.01910   3.08921
   D62       -0.98686  -0.00106  -0.00544  -0.02556  -0.03103  -1.01788
   D63        1.00946   0.00086   0.00776  -0.02247  -0.01473   0.99473
   D64       -0.99066  -0.00141  -0.00926  -0.00776  -0.01696  -1.00761
   D65        1.14560  -0.00097  -0.00380  -0.00876  -0.01248   1.13311
   D66       -3.10241  -0.00126  -0.00560  -0.00681  -0.01233  -3.11474
   D67        3.03164   0.00025  -0.00460  -0.01264  -0.01725   3.01439
   D68       -1.11529   0.00070   0.00085  -0.01364  -0.01278  -1.12807
   D69        0.91989   0.00041  -0.00095  -0.01169  -0.01263   0.90726
   D70        1.03469   0.00043   0.00121  -0.00981  -0.00869   1.02600
   D71       -3.11224   0.00088   0.00667  -0.01081  -0.00422  -3.11646
   D72       -1.07706   0.00059   0.00487  -0.00886  -0.00406  -1.08112
   D73       -3.08274   0.00016  -0.00206  -0.04099  -0.04313  -3.12588
   D74        1.07653   0.00002   0.00197  -0.03928  -0.03740   1.03912
   D75       -1.00902  -0.00078  -0.00799  -0.03760  -0.04568  -1.05470
   D76       -0.96123   0.00006  -0.00465  -0.04023  -0.04484  -1.00607
   D77       -3.08515  -0.00007  -0.00062  -0.03852  -0.03911  -3.12425
   D78        1.11249  -0.00087  -0.01058  -0.03683  -0.04738   1.06511
   D79        1.09854   0.00055   0.00221  -0.03586  -0.03359   1.06495
   D80       -1.02538   0.00041   0.00624  -0.03414  -0.02786  -1.05324
   D81       -3.11092  -0.00038  -0.00372  -0.03246  -0.03613   3.13613
   D82        1.49008   0.00138   0.01325   0.00424   0.01740   1.50747
   D83       -1.62398   0.00147   0.00995   0.02333   0.03325  -1.59072
   D84       -0.69836  -0.00042   0.00181   0.00811   0.00993  -0.68843
   D85        2.47077  -0.00034  -0.00149   0.02720   0.02579   2.49656
   D86       -2.72843  -0.00024  -0.00143   0.00400   0.00255  -2.72588
   D87        0.44070  -0.00016  -0.00473   0.02309   0.01841   0.45911
   D88        1.24276   0.00034   0.01915   0.09193   0.11113   1.35389
   D89       -2.95070   0.00087   0.00674   0.09807   0.10482  -2.84588
   D90       -0.88423   0.00072   0.00850   0.09258   0.10107  -0.78316
   D91       -0.93410   0.00155   0.02639   0.09994   0.12636  -0.80774
   D92        1.15563   0.00209   0.01398   0.10608   0.12006   1.27568
   D93       -3.06108   0.00194   0.01574   0.10060   0.11630  -2.94478
   D94       -2.95206  -0.00047   0.01041   0.09386   0.10429  -2.84776
   D95       -0.86233   0.00006  -0.00199   0.09999   0.09799  -0.76434
   D96        1.20414  -0.00009  -0.00024   0.09451   0.09423   1.29838
   D97       -1.05565  -0.00263  -0.02133  -0.03873  -0.06009  -1.11574
   D98        1.13557  -0.00145  -0.01337  -0.04212  -0.05546   1.08010
   D99       -3.09918  -0.00215  -0.01468  -0.03846  -0.05316   3.13084
   D100       3.05617  -0.00030  -0.00968  -0.04252  -0.05216   3.00401
   D101      -1.03580   0.00088  -0.00172  -0.04591  -0.04754  -1.08334
   D102       1.01264   0.00017  -0.00303  -0.04225  -0.04524   0.96740
   D103       0.97787  -0.00001  -0.00528  -0.04398  -0.04934   0.92853
   D104      -3.11410   0.00117   0.00267  -0.04737  -0.04471   3.12437
   D105      -1.06567   0.00047   0.00136  -0.04371  -0.04241  -1.10808
   D106      -0.95821  -0.00054  -0.00154  -0.00622  -0.00776  -0.96597
   D107      -3.04787  -0.00070  -0.00308  -0.00372  -0.00682  -3.05469
   D108       1.15178  -0.00082  -0.00419  -0.00441  -0.00861   1.14317
   D109       1.17732  -0.00015  -0.00599  -0.00978  -0.01576   1.16157
   D110      -0.91234  -0.00030  -0.00753  -0.00727  -0.01482  -0.92715
   D111      -2.99587  -0.00043  -0.00864  -0.00797  -0.01661  -3.01248
   D112      -3.04294   0.00075   0.00733  -0.00366   0.00368  -3.03926
   D113       1.15058   0.00059   0.00578  -0.00116   0.00462   1.15521
   D114      -0.93295   0.00047   0.00467  -0.00186   0.00283  -0.93012
   D115       1.02457  -0.00107  -0.00782  -0.00174  -0.00954   1.01503
   D116      -1.07875  -0.00125  -0.00966  -0.00133  -0.01098  -1.08973
   D117       3.11566  -0.00126  -0.00968  -0.00151  -0.01118   3.10449
   D118      -1.11289   0.00138   0.01107  -0.00171   0.00936  -1.10353
   D119       3.06697   0.00120   0.00924  -0.00130   0.00792   3.07490
   D120       0.97820   0.00119   0.00922  -0.00148   0.00772   0.98593
   D121       3.11436  -0.00012  -0.00159  -0.00859  -0.01019   3.10418
   D122       1.01104  -0.00029  -0.00343  -0.00818  -0.01162   0.99942
   D123      -1.07773  -0.00031  -0.00345  -0.00836  -0.01182  -1.08955
   D124      -0.84111   0.00028  -0.00462  -0.00088  -0.00543  -0.84654
   D125       1.30332   0.00088   0.00298   0.00235   0.00541   1.30874
   D126      -2.95510   0.00062   0.00130   0.00604   0.00737  -2.94772
   D127      -2.99936  -0.00148  -0.01061   0.00011  -0.01053  -3.00988
   D128      -0.85492  -0.00087  -0.00301   0.00334   0.00031  -0.85461
   D129       1.16984  -0.00113  -0.00470   0.00703   0.00227   1.17212
   D130       1.24755  -0.00011  -0.00566  -0.00028  -0.00597   1.24159
   D131      -2.89120   0.00050   0.00194   0.00294   0.00487  -2.88632
   D132      -0.86643   0.00024   0.00026   0.00663   0.00683  -0.85960
   D133      -1.49515   0.00042   0.00643   0.01061   0.01704  -1.47811
   D134       1.64751   0.00062   0.00981   0.01434   0.02415   1.67166
   D135       2.64112   0.00068   0.00582   0.01222   0.01803   2.65915
   D136      -0.49941   0.00088   0.00920   0.01595   0.02514  -0.47427
   D137       0.60253  -0.00074  -0.00655   0.00931   0.00278   0.60531
   D138      -2.53800  -0.00055  -0.00317   0.01304   0.00989  -2.52811
   D139       0.91729  -0.00044  -0.00476  -0.01853  -0.02329   0.89400
   D140       3.02652  -0.00051  -0.00626  -0.02345  -0.02972   2.99680
   D141      -1.19023  -0.00006   0.00007  -0.02446  -0.02437  -1.21459
   D142      -1.18223  -0.00078  -0.01032  -0.02624  -0.03654  -1.21877
   D143       0.92701  -0.00086  -0.01182  -0.03115  -0.04298   0.88403
   D144       2.99345  -0.00040  -0.00549  -0.03217  -0.03762   2.95582
   D145       3.03260  -0.00075  -0.00988  -0.02075  -0.03063   3.00197
   D146      -1.14135  -0.00082  -0.01138  -0.02566  -0.03707  -1.17842
   D147       0.92509  -0.00037  -0.00506  -0.02668  -0.03171   0.89338
   D148      -0.96548   0.00012   0.00402   0.02912   0.03320  -0.93228
   D149      -3.07353  -0.00009   0.00025   0.02546   0.02578  -3.04775
   D150       1.13246   0.00063   0.00871   0.03398   0.04274   1.17519
   D151      -3.06914   0.00049   0.00711   0.03193   0.03908  -3.03007
   D152       1.10599   0.00028   0.00334   0.02827   0.03165   1.13765
   D153      -0.97121   0.00099   0.01180   0.03678   0.04861  -0.92259
   D154       1.13989  -0.00001   0.00057   0.03378   0.03434   1.17423
   D155      -0.96816  -0.00021  -0.00320   0.03012   0.02692  -0.94124
   D156      -3.04536   0.00050   0.00526   0.03864   0.04388  -3.00148
   D157      -1.37386   0.00047   0.00986   0.01669   0.02654  -1.34732
   D158       1.77267   0.00101   0.01980   0.03057   0.05035   1.82302
   D159       2.77137   0.00045   0.00869   0.01375   0.02245   2.79382
   D160      -0.36528   0.00099   0.01863   0.02763   0.04626  -0.31903
   D161       0.73613  -0.00109  -0.00385   0.00979   0.00596   0.74210
   D162      -2.40052  -0.00055   0.00609   0.02367   0.02977  -2.37075
   D163       3.14114   0.00017   0.00264   0.00301   0.00565  -3.13640
   D164       0.00054   0.00015   0.00231   0.00293   0.00525   0.00579
   D165      -0.00151  -0.00003  -0.00068  -0.00070  -0.00138  -0.00289
   D166       3.14108  -0.00004  -0.00101  -0.00077  -0.00178   3.13930
   D167      -3.14129  -0.00018  -0.00310  -0.00291  -0.00600   3.13589
   D168       0.00350   0.00000   0.00043  -0.00119  -0.00076   0.00274
   D169       0.00136   0.00001   0.00024   0.00080   0.00104   0.00240
   D170      -3.13703   0.00020   0.00376   0.00252   0.00628  -3.13075
   D171      -3.13854   0.00046   0.00739   0.01110   0.01850  -3.12005
   D172       0.01187   0.00051   0.00803   0.01263   0.02066   0.03254
   D173      -0.00184  -0.00007  -0.00237  -0.00265  -0.00502  -0.00686
   D174      -3.13461  -0.00003  -0.00173  -0.00112  -0.00285  -3.13746
   D175       3.13828  -0.00052  -0.00817  -0.01192  -0.02008   3.11820
   D176      -0.00775  -0.00021  -0.00308  -0.00738  -0.01046  -0.01820
   D177       0.00159   0.00001   0.00160   0.00185   0.00346   0.00505
   D178       3.13875   0.00033   0.00669   0.00640   0.01309  -3.13135
   D179       2.73543  -0.00171  -0.00187   0.03871   0.03696   2.77239
   D180       0.66371   0.00257   0.01304   0.05210   0.06515   0.72887
   D181      -1.39329  -0.00133   0.00875   0.04410   0.05279  -1.34050
   D182      -0.43082  -0.00070   0.01496   0.05492   0.06994  -0.36088
   D183      -2.50254   0.00358   0.02988   0.06830   0.09814  -2.40440
   D184       1.72364  -0.00032   0.02558   0.06031   0.08578   1.80942
   D185       0.00047   0.00001   0.00041   0.00017   0.00058   0.00106
   D186      -3.14119   0.00000   0.00004   0.00008   0.00013  -3.14107
   D187       3.14107   0.00003   0.00073   0.00025   0.00098  -3.14113
   D188      -0.00060   0.00002   0.00037   0.00015   0.00052  -0.00007
   D189      -0.00017   0.00002   0.00048  -0.00038   0.00010  -0.00007
   D190      -3.14093   0.00005   0.00110  -0.00020   0.00089  -3.14004
   D191       3.13823  -0.00017  -0.00303  -0.00210  -0.00513   3.13310
   D192      -0.00253  -0.00014  -0.00241  -0.00192  -0.00433  -0.00686
   D193       0.00091   0.00007   0.00142   0.00189   0.00331   0.00421
   D194      -3.13643   0.00005   0.00132   0.00114   0.00247  -3.13396
   D195       3.13366   0.00003   0.00077   0.00035   0.00113   3.13479
   D196      -0.00367   0.00001   0.00067  -0.00039   0.00028  -0.00339
   D197      -0.00041   0.00005   0.00011  -0.00029  -0.00018  -0.00059
   D198       3.13920   0.00012   0.00136   0.00137   0.00273  -3.14126
   D199      -3.13757  -0.00026  -0.00497  -0.00483  -0.00980   3.13581
   D200       0.00204  -0.00019  -0.00373  -0.00317  -0.00690  -0.00486
   D201       0.00072   0.00002   0.00032   0.00025   0.00057   0.00129
   D202       3.14148  -0.00002  -0.00056   0.00001  -0.00054   3.14094
   D203      -3.14080   0.00003   0.00068   0.00034   0.00103  -3.13977
   D204      -0.00004  -0.00001  -0.00019   0.00011  -0.00009  -0.00012
   D205      -0.00087  -0.00003  -0.00076  -0.00014  -0.00091  -0.00178
   D206       3.14155   0.00001   0.00011   0.00009   0.00020  -3.14143
   D207       3.13989  -0.00006  -0.00138  -0.00033  -0.00171   3.13818
   D208      -0.00087  -0.00002  -0.00050  -0.00009  -0.00059  -0.00147
   D209       0.00029  -0.00001   0.00033  -0.00031   0.00002   0.00031
   D210      -3.13960  -0.00006  -0.00053  -0.00120  -0.00174  -3.14134
   D211       3.13762   0.00001   0.00043   0.00043   0.00086   3.13848
   D212      -0.00227  -0.00004  -0.00044  -0.00046  -0.00090  -0.00317
   D213      -0.00054  -0.00005  -0.00110  -0.00048  -0.00158  -0.00212
   D214       3.13936   0.00000  -0.00023   0.00041   0.00018   3.13953
   D215      -3.14015  -0.00012  -0.00234  -0.00214  -0.00449   3.13855
   D216      -0.00025  -0.00007  -0.00148  -0.00125  -0.00273  -0.00298
   D217      -3.09459   0.00083   0.00442   0.01338   0.01719  -3.07740
   D218       0.06081   0.00017  -0.01097  -0.00541  -0.01665   0.04415
   D219      -0.02002  -0.00001  -0.00824  -0.00969  -0.01794  -0.03797
   D220       3.13537  -0.00066  -0.02363  -0.02848  -0.05179   3.08358
   D221       3.10125  -0.00132  -0.00663  -0.01398  -0.02110   3.08015
   D222      -0.01915  -0.00173  -0.01398  -0.01740  -0.03186  -0.05102
   D223       0.02492   0.00002   0.00654   0.01065   0.01731   0.04223
   D224      -3.09548  -0.00040  -0.00081   0.00722   0.00655  -3.08894
   D225       0.00188  -0.00007   0.00384   0.00214   0.00580   0.00768
   D226      -3.13165  -0.00032  -0.00237  -0.00389  -0.00637  -3.13802
   D227       3.13030   0.00044   0.01875   0.01984   0.03866  -3.11422
   D228      -0.00323   0.00019   0.01254   0.01381   0.02650   0.02326
   D229      -2.84514   0.00027  -0.00620  -0.00830  -0.01456  -2.85970
   D230       1.34598   0.00017  -0.00670  -0.00819  -0.01494   1.33103
   D231      -0.75032   0.00059  -0.00831  -0.00659  -0.01496  -0.76528
   D232       0.31019  -0.00032  -0.02173  -0.02693  -0.04859   0.26160
   D233      -1.78187  -0.00043  -0.02222  -0.02681  -0.04898  -1.83085
   D234       2.40502  -0.00001  -0.02383  -0.02521  -0.04900   2.35602
   D235      -0.01166   0.00008  -0.00031  -0.00406  -0.00447  -0.01613
   D236       3.13814  -0.00007  -0.00301  -0.00243  -0.00543   3.13270
   D237       3.10914   0.00040   0.00688  -0.00061   0.00606   3.11520
   D238      -0.02426   0.00026   0.00417   0.00102   0.00511  -0.01915
   D239       2.74483   0.00027   0.00361   0.00688   0.01048   2.75531
   D240       0.64916  -0.00041  -0.00028   0.00674   0.00644   0.65560
   D241      -1.44588   0.00062   0.00479   0.00574   0.01051  -1.43536
   D242      -0.37559  -0.00006  -0.00369   0.00351  -0.00016  -0.37575
   D243      -2.47126  -0.00074  -0.00758   0.00337  -0.00420  -2.47546
   D244       1.71688   0.00029  -0.00252   0.00237  -0.00012   1.71676
   D245       0.01137   0.00002   0.00204   0.00430   0.00646   0.01784
   D246      -3.13450   0.00001  -0.00082  -0.00029  -0.00103  -3.13553
   D247      -3.13828   0.00026   0.00828   0.01034   0.01866  -3.11963
   D248      -0.00097   0.00025   0.00542   0.00574   0.01116   0.01019
   D249      -0.00643   0.00001  -0.00380  -0.00330  -0.00704  -0.01347
   D250       3.13944   0.00002  -0.00095   0.00129   0.00046   3.13990
   D251       3.12695   0.00015  -0.00110  -0.00494  -0.00610   3.12085
   D252      -0.01036   0.00016   0.00176  -0.00035   0.00139  -0.00897
         Item               Value     Threshold  Converged?
 Maximum Force            0.018722     0.000450     NO 
 RMS     Force            0.002577     0.000300     NO 
 Maximum Displacement     1.329378     0.001800     NO 
 RMS     Displacement     0.271708     0.001200     NO 
 Predicted change in Energy=-7.421162D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.115584    0.259780    0.033089
      2          8           0       -3.741581    0.372071    2.062840
      3          8           0       -3.205986    2.408995   -2.323319
      4          8           0        3.294678   -3.235962    0.496782
      5          8           0        4.188526   -0.647106   -1.783003
      6          7           0       -3.292405    2.682828   -0.018478
      7          7           0       -3.248594   -0.524221    0.008042
      8          7           0        2.348339   -1.158444    0.230279
      9          7           0       -1.767960    3.942693   -1.410086
     10          6           0       -2.658777   -1.732200    0.535958
     11          6           0       -4.351062    1.707994    0.100763
     12          6           0       -1.298344   -1.543238    1.231372
     13          6           0       -0.116930   -1.119282    0.368317
     14          6           0       -5.604167    2.186117    0.864400
     15          6           0        1.230708   -1.386422    1.114250
     16          6           0       -2.561962   -2.844858   -0.524574
     17          6           0       -3.771098    0.455039    0.819270
     18          6           0       -2.887733    3.431323    1.151059
     19          6           0       -1.474882    4.002351    1.024270
     20          6           0        1.282033   -0.544520    2.402773
     21          6           0       -2.790713    3.002610   -1.294563
     22          6           0       -6.622366    1.064379    0.934995
     23          6           0       -6.216940    3.392366    0.184230
     24          6           0       -1.366459    4.761607   -0.299889
     25          6           0       -3.887241   -3.189212   -1.106358
     26          6           0        2.592909   -0.583703    3.102694
     27          6           0        3.323572   -2.090557   -0.003498
     28          6           0       -4.723786   -4.106373   -0.459388
     29          6           0       -4.305922   -2.608111   -2.309143
     30          6           0        2.951280   -1.698885    3.870278
     31          6           0        3.468038    0.506412    3.030622
     32          6           0        4.493861   -1.743474   -0.915054
     33          6           0       -5.963057   -4.434493   -1.006692
     34          6           0       -5.545588   -2.938404   -2.854747
     35          6           0       -6.376056   -3.850753   -2.204225
     36          6           0        4.169105   -1.725219    4.547435
     37          6           0        4.684876    0.478993    3.710511
     38          6           0        5.037922   -0.636763    4.468664
     39          6           0        5.262907    0.215826   -1.996800
     40          6           0        5.158956    1.542475   -1.548095
     41          6           0        6.371160   -0.210419   -2.756672
     42          6           0        6.204281    2.429113   -1.831320
     43          6           0        7.399535    0.700164   -3.017135
     44          6           0        3.965987    2.020828   -0.811441
     45          6           0        6.456460   -1.590839   -3.289671
     46          6           0        7.320375    2.010140   -2.550356
     47          1           0       -3.359856   -2.097855    1.353926
     48          1           0       -4.689594    1.430672   -0.946905
     49          1           0       -1.436411   -0.808397    2.070385
     50          1           0       -1.042016   -2.539763    1.685309
     51          1           0       -0.114443   -1.735991   -0.578226
     52          1           0       -5.304221    2.465139    1.914602
     53          1           0        1.237768   -2.483712    1.398461
     54          1           0       -3.280187   -0.414613   -0.979003
     55          1           0       -1.856974   -2.539743   -1.343815
     56          1           0       -2.121818   -3.748450   -0.023442
     57          1           0       -3.612534    4.283415    1.312795
     58          1           0       -2.945516    2.747211    2.046556
     59          1           0       -1.269946    4.691022    1.879800
     60          1           0       -0.720944    3.172186    1.057673
     61          1           0        1.007223    0.516565    2.153103
     62          1           0        0.493707   -0.944635    3.096601
     63          1           0       -6.867869    0.685351   -0.086261
     64          1           0       -7.562836    1.438305    1.407424
     65          1           0       -6.232822    0.216768    1.550317
     66          1           0       -6.487861    3.152710   -0.872451
     67          1           0       -5.509391    4.255540    0.181301
     68          1           0       -7.143410    3.702052    0.726304
     69          1           0       -0.309873    5.109691   -0.466171
     70          1           0       -2.028600    5.675648   -0.245038
     71          1           0        2.371102   -0.291307   -0.255240
     72          1           0       -1.415514    4.124450   -2.317834
     73          1           0       -0.931340    0.449695   -0.440424
     74          1           0       -4.400744   -4.568873    0.485102
     75          1           0       -3.652496   -1.893565   -2.832056
     76          1           0        2.271046   -2.561522    3.929164
     77          1           0        3.191920    1.391360    2.438316
     78          1           0        4.678671   -2.641189   -1.566253
     79          1           0        5.394714   -1.540812   -0.279099
     80          1           0       -6.615157   -5.155625   -0.492342
     81          1           0       -5.867033   -2.478725   -3.801007
     82          1           0       -7.353709   -4.110613   -2.635736
     83          1           0        4.445614   -2.608102    5.142105
     84          1           0        5.366375    1.339755    3.648795
     85          1           0        5.998609   -0.658641    5.003104
     86          1           0        6.137819    3.470961   -1.482879
     87          1           0        8.274067    0.377438   -3.601961
     88          1           0        3.925907    3.137820   -0.792731
     89          1           0        3.994032    1.653300    0.245726
     90          1           0        3.031353    1.645544   -1.299343
     91          1           0        7.154858   -1.639506   -4.160938
     92          1           0        5.448254   -1.944065   -3.622885
     93          1           0        6.832654   -2.287084   -2.497949
     94          1           0        8.136054    2.717906   -2.759731
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0842291      0.0358788      0.0335628
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3174.0318336296 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.237634288053     A.U. after   15 cycles
             Convg  =    0.7777D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.001682350   -0.001463295    0.001131273
      2        8          -0.000421361   -0.000063950    0.000081151
      3        8           0.000089365    0.000081668   -0.001385295
      4        8          -0.000944850   -0.000769214    0.000819441
      5        8          -0.000526776   -0.000062596    0.003767362
      6        7           0.001177824    0.000923354    0.002268266
      7        7           0.004013924   -0.002192144   -0.000085812
      8        7          -0.000553338   -0.001106248    0.002782315
      9        7          -0.000453329   -0.000408851    0.002529731
     10        6          -0.000891811    0.000433289   -0.000993007
     11        6          -0.000930817   -0.000318661   -0.001284824
     12        6           0.000508798   -0.001783114    0.000328733
     13        6          -0.001815635    0.001487801   -0.002125420
     14        6          -0.000745136    0.000100591    0.001241392
     15        6          -0.000159838    0.000446644   -0.002250597
     16        6           0.000668118    0.000150043   -0.000197067
     17        6          -0.000227817    0.000814850    0.000582370
     18        6           0.000960575    0.000283364   -0.001400805
     19        6          -0.000055167    0.001209472   -0.000655607
     20        6           0.000106538    0.000859642    0.001539682
     21        6           0.000134258   -0.002364255   -0.000392026
     22        6           0.000559385   -0.000281311   -0.000183136
     23        6          -0.000093867    0.000008844    0.000105034
     24        6          -0.000927939    0.000213391   -0.002533407
     25        6           0.000147846   -0.000580242    0.000171636
     26        6          -0.000085476    0.000459898   -0.000158908
     27        6          -0.001345707    0.002518678   -0.001743812
     28        6          -0.000279786    0.000332782    0.000109631
     29        6          -0.000069862    0.000187143   -0.000233236
     30        6           0.000336582   -0.000307170   -0.000279677
     31        6          -0.000053890   -0.000327011    0.000152006
     32        6           0.003154872   -0.001046672   -0.002728290
     33        6           0.000109325   -0.000173693    0.000038273
     34        6          -0.000054770   -0.000086666   -0.000032513
     35        6          -0.000011441    0.000194719   -0.000021690
     36        6          -0.000017809    0.000220450    0.000007004
     37        6          -0.000121790    0.000017731   -0.000082852
     38        6           0.000091353   -0.000153811    0.000039489
     39        6           0.001864939    0.000159944   -0.004963214
     40        6          -0.000748662    0.000479468    0.003161067
     41        6          -0.001116664    0.000082226   -0.001009744
     42        6           0.000798509    0.000018027    0.000186968
     43        6          -0.000072035   -0.000003780    0.000248462
     44        6          -0.000043937   -0.000162906   -0.000887694
     45        6          -0.000198826   -0.000295684    0.001147339
     46        6          -0.000296478    0.000255453    0.000273491
     47        1          -0.000140363   -0.000116211   -0.000437719
     48        1          -0.000420766   -0.000300903   -0.000333867
     49        1           0.001179681    0.000901187    0.000501858
     50        1          -0.000143011   -0.000385833    0.001066955
     51        1           0.000451876    0.001205312    0.001417795
     52        1           0.000006957    0.000092739   -0.000737823
     53        1           0.000037260   -0.000789545    0.000759535
     54        1          -0.000685174    0.000200285   -0.000006702
     55        1          -0.000291279    0.000212727    0.000299136
     56        1           0.000130099   -0.000007403    0.000068140
     57        1          -0.000275561   -0.000629865   -0.000151951
     58        1          -0.000043045   -0.000209986   -0.000413990
     59        1          -0.000102967    0.000816617    0.000779508
     60        1           0.000046636   -0.000266340    0.000488669
     61        1           0.000051948   -0.000190301   -0.000565521
     62        1          -0.000195227    0.000945273    0.000017382
     63        1           0.000028041    0.000037352    0.000105094
     64        1          -0.000007642   -0.000099852    0.000013309
     65        1           0.000589719   -0.000082074   -0.000019304
     66        1           0.000030877    0.000021484    0.000033161
     67        1          -0.000162706    0.000294334    0.000334293
     68        1          -0.000015649    0.000146779    0.000008582
     69        1           0.000043330   -0.000443705   -0.000711191
     70        1           0.000863868   -0.000229603    0.000446746
     71        1           0.001030899   -0.000584432    0.000949765
     72        1          -0.000301444    0.000814875    0.000907928
     73        1          -0.000804939    0.000810837   -0.000446522
     74        1           0.000040420   -0.000095114    0.000042118
     75        1           0.000085997   -0.000077489    0.000075293
     76        1          -0.000014483    0.000117663   -0.000093230
     77        1           0.000194668    0.000275802   -0.000148171
     78        1           0.001111766   -0.000334039   -0.000670960
     79        1          -0.000260070    0.000644319    0.000426157
     80        1          -0.000007816   -0.000004308   -0.000014665
     81        1           0.000017097    0.000003620    0.000045333
     82        1           0.000028546   -0.000071005    0.000006850
     83        1          -0.000036936   -0.000022508    0.000007672
     84        1           0.000033046    0.000004289    0.000008837
     85        1          -0.000043549    0.000058329    0.000021462
     86        1          -0.000132273   -0.000023453    0.000030865
     87        1          -0.000012197    0.000057434   -0.000048955
     88        1           0.000110557   -0.000232818   -0.000059171
     89        1          -0.000856841    0.000484948   -0.000529835
     90        1          -0.000631304   -0.000695443   -0.000549983
     91        1          -0.000008520   -0.000089781   -0.000026112
     92        1          -0.000059060   -0.000165687    0.000067365
     93        1          -0.000185922    0.000112505   -0.000011219
     94        1          -0.000049589   -0.000099213   -0.000036400
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004963214 RMS     0.000884881

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.006220407 RMS     0.000830406
 Search for a local minimum.
 Step number   6 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    3    4    5    6
 DE= -7.17D-03 DEPred=-7.42D-03 R= 9.66D-01
 SS=  1.41D+00  RLast= 7.10D-01 DXNew= 8.4853D-01 2.1302D+00
 Trust test= 9.66D-01 RLast= 7.10D-01 DXMaxT set to 8.49D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00218   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00230   0.00231   0.00238   0.00265   0.00317
     Eigenvalues ---    0.00428   0.00429   0.00477   0.00484   0.00556
     Eigenvalues ---    0.00593   0.00707   0.00790   0.00818   0.00935
     Eigenvalues ---    0.01110   0.01139   0.01350   0.01370   0.01401
     Eigenvalues ---    0.01429   0.01435   0.01444   0.01453   0.01463
     Eigenvalues ---    0.01528   0.01581   0.02009   0.02044   0.02084
     Eigenvalues ---    0.02104   0.02118   0.02125   0.02144   0.02146
     Eigenvalues ---    0.02150   0.02151   0.02155   0.02162   0.02169
     Eigenvalues ---    0.02172   0.02172   0.02176   0.02177   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02182   0.02187   0.02187
     Eigenvalues ---    0.02188   0.02282   0.02428   0.02447   0.03047
     Eigenvalues ---    0.03395   0.03452   0.03604   0.03728   0.03828
     Eigenvalues ---    0.03885   0.04019   0.04230   0.04503   0.04559
     Eigenvalues ---    0.04616   0.04704   0.04712   0.04787   0.04825
     Eigenvalues ---    0.05031   0.05096   0.05142   0.05369   0.05382
     Eigenvalues ---    0.05458   0.05473   0.05596   0.05613   0.05702
     Eigenvalues ---    0.05712   0.05727   0.06093   0.06415   0.06660
     Eigenvalues ---    0.07133   0.07135   0.07204   0.07302   0.07410
     Eigenvalues ---    0.07531   0.07664   0.07743   0.09029   0.09180
     Eigenvalues ---    0.09247   0.09330   0.09442   0.10703   0.11541
     Eigenvalues ---    0.12079   0.12746   0.12766   0.12945   0.14083
     Eigenvalues ---    0.15709   0.15932   0.15984   0.15992   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16006   0.16032   0.16096   0.16315
     Eigenvalues ---    0.16524   0.16612   0.16617   0.17288   0.17619
     Eigenvalues ---    0.18438   0.18989   0.19121   0.19179   0.19301
     Eigenvalues ---    0.20224   0.21399   0.21979   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22035   0.22099
     Eigenvalues ---    0.22743   0.22897   0.23391   0.23477   0.23504
     Eigenvalues ---    0.23797   0.24610   0.24753   0.24926   0.24957
     Eigenvalues ---    0.24976   0.24990   0.24991   0.24999   0.24999
     Eigenvalues ---    0.25027   0.25400   0.25551   0.26670   0.26896
     Eigenvalues ---    0.27112   0.27231   0.27737   0.28147   0.28226
     Eigenvalues ---    0.28369   0.28528   0.28659   0.29566   0.29833
     Eigenvalues ---    0.30039   0.30190   0.30758   0.32348   0.32452
     Eigenvalues ---    0.33794   0.34402   0.34485   0.34551   0.34588
     Eigenvalues ---    0.34625   0.34647   0.34684   0.34694   0.34703
     Eigenvalues ---    0.34713   0.34726   0.34733   0.34740   0.34742
     Eigenvalues ---    0.34748   0.34753   0.34762   0.34778   0.34785
     Eigenvalues ---    0.34791   0.34799   0.34803   0.34814   0.34822
     Eigenvalues ---    0.34831   0.34837   0.34846   0.34851   0.34878
     Eigenvalues ---    0.34889   0.35138   0.35825   0.35891   0.35900
     Eigenvalues ---    0.35922   0.35946   0.35968   0.35982   0.35992
     Eigenvalues ---    0.35999   0.36004   0.36025   0.36033   0.36046
     Eigenvalues ---    0.36071   0.36538   0.39151   0.40954   0.41815
     Eigenvalues ---    0.42183   0.42253   0.42312   0.42359   0.42674
     Eigenvalues ---    0.43075   0.45114   0.45675   0.45900   0.46017
     Eigenvalues ---    0.46069   0.46089   0.46137   0.46237   0.46346
     Eigenvalues ---    0.46417   0.46761   0.46765   0.46777   0.46919
     Eigenvalues ---    0.47161   0.48243   0.49107   0.53046   0.55493
     Eigenvalues ---    0.56220   0.58405   0.90223   0.90437   0.91876
     Eigenvalues ---    0.951111000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-3.19612229D-03 EMin= 2.17749988D-03
 Quartic linear search produced a step of  0.17912.
 Iteration  1 RMS(Cart)=  0.22045531 RMS(Int)=  0.00548293
 Iteration  2 RMS(Cart)=  0.01400379 RMS(Int)=  0.00008440
 Iteration  3 RMS(Cart)=  0.00009978 RMS(Int)=  0.00008133
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00008133
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68194  -0.00099  -0.00027  -0.00232  -0.00259   2.67935
    R2        1.81821   0.00088   0.00018   0.00152   0.00169   1.81990
    R3        2.35589   0.00031   0.00032   0.00022   0.00055   2.35644
    R4        2.37773   0.00095   0.00066   0.00078   0.00144   2.37917
    R5        2.36259   0.00034   0.00061  -0.00007   0.00054   2.36313
    R6        2.70474  -0.00082  -0.00374   0.00247  -0.00126   2.70348
    R7        2.63524  -0.00238  -0.00201  -0.00367  -0.00568   2.62956
    R8        2.72886   0.00097  -0.00171   0.00576   0.00405   2.73290
    R9        2.73313  -0.00125  -0.00249  -0.00032  -0.00271   2.73042
   R10        2.66066  -0.00057   0.00066  -0.00326  -0.00256   2.65809
   R11        2.72919  -0.00075  -0.00158   0.00062  -0.00096   2.72824
   R12        2.59798  -0.00008   0.00053  -0.00004   0.00049   2.59847
   R13        1.87766  -0.00024  -0.00098   0.00133   0.00035   1.87801
   R14        2.72703  -0.00011  -0.00054   0.00003  -0.00051   2.72651
   R15        2.58731   0.00216   0.00058   0.00400   0.00458   2.59190
   R16        1.87852   0.00098   0.00015   0.00249   0.00264   1.88116
   R17        2.63420  -0.00031   0.00083  -0.00181  -0.00103   2.63317
   R18        2.71514  -0.00222  -0.00180  -0.00301  -0.00490   2.71024
   R19        1.87194  -0.00010  -0.00112   0.00207   0.00095   1.87288
   R20        2.90925  -0.00222  -0.00320  -0.00149  -0.00469   2.90456
   R21        2.91049  -0.00027   0.00008  -0.00186  -0.00179   2.90870
   R22        2.14988   0.00011   0.00223  -0.00376  -0.00153   2.14835
   R23        2.91656   0.00050  -0.00024   0.00216   0.00192   2.91848
   R24        2.94125  -0.00102  -0.00020  -0.00382  -0.00402   2.93723
   R25        2.14558  -0.00018   0.00219  -0.00468  -0.00249   2.14309
   R26        2.87856  -0.00373  -0.00445  -0.00566  -0.01012   2.86844
   R27        2.12373  -0.00019   0.00154  -0.00378  -0.00224   2.12149
   R28        2.12527  -0.00048   0.00159  -0.00468  -0.00309   2.12218
   R29        2.95421  -0.00059   0.00160  -0.00549  -0.00389   2.95032
   R30        2.13487  -0.00034   0.00194  -0.00532  -0.00339   2.13149
   R31        2.86592  -0.00105  -0.00145  -0.00146  -0.00291   2.86300
   R32        2.86165   0.00057  -0.00050   0.00221   0.00171   2.86336
   R33        2.13024  -0.00044   0.00201  -0.00570  -0.00369   2.12655
   R34        2.91025  -0.00082  -0.00055  -0.00349  -0.00404   2.90621
   R35        2.14205  -0.00037   0.00212  -0.00553  -0.00340   2.13864
   R36        2.81145  -0.00034  -0.00160   0.00120  -0.00040   2.81105
   R37        2.12227  -0.00030   0.00168  -0.00454  -0.00287   2.11940
   R38        2.12234  -0.00008   0.00163  -0.00343  -0.00180   2.12054
   R39        2.88967  -0.00070  -0.00065  -0.00060  -0.00123   2.88845
   R40        2.13594  -0.00033   0.00197  -0.00475  -0.00278   2.13316
   R41        2.13235   0.00027   0.00188  -0.00253  -0.00065   2.13170
   R42        2.89173  -0.00106  -0.00022  -0.00167  -0.00191   2.88982
   R43        2.11126   0.00011   0.00128  -0.00214  -0.00085   2.11040
   R44        2.12013  -0.00025   0.00136  -0.00331  -0.00194   2.11818
   R45        2.80917  -0.00018  -0.00201   0.00257   0.00056   2.80973
   R46        2.12437  -0.00054   0.00170  -0.00525  -0.00354   2.12083
   R47        2.12369   0.00015   0.00170  -0.00285  -0.00115   2.12254
   R48        2.11016  -0.00003   0.00131  -0.00277  -0.00146   2.10870
   R49        2.11066  -0.00001   0.00130  -0.00273  -0.00142   2.10923
   R50        2.11177  -0.00015   0.00135  -0.00323  -0.00188   2.10989
   R51        2.11059   0.00001   0.00130  -0.00255  -0.00124   2.10934
   R52        2.10914  -0.00004   0.00132  -0.00275  -0.00143   2.10772
   R53        2.11117   0.00005   0.00135  -0.00244  -0.00109   2.11008
   R54        2.12557   0.00025   0.00159  -0.00196  -0.00037   2.12520
   R55        2.13540   0.00020   0.00183  -0.00238  -0.00055   2.13485
   R56        2.64532   0.00008   0.00013  -0.00009   0.00003   2.64536
   R57        2.64539   0.00004   0.00016  -0.00034  -0.00018   2.64521
   R58        2.64646   0.00010   0.00014  -0.00003   0.00011   2.64657
   R59        2.64521   0.00007   0.00005  -0.00009  -0.00004   2.64517
   R60        2.87895   0.00226  -0.00700   0.01944   0.01244   2.89139
   R61        2.63412  -0.00013  -0.00008  -0.00005  -0.00013   2.63399
   R62        2.07898   0.00006   0.00097  -0.00163  -0.00067   2.07831
   R63        2.63449  -0.00003  -0.00004   0.00018   0.00014   2.63463
   R64        2.07954   0.00010   0.00098  -0.00155  -0.00056   2.07898
   R65        2.63367  -0.00014  -0.00006  -0.00007  -0.00014   2.63353
   R66        2.07898   0.00009   0.00094  -0.00145  -0.00051   2.07847
   R67        2.63459  -0.00001  -0.00004   0.00021   0.00018   2.63477
   R68        2.07887   0.00018   0.00102  -0.00133  -0.00031   2.07856
   R69        2.12467   0.00069   0.00167  -0.00069   0.00098   2.12565
   R70        2.11872  -0.00061   0.00135  -0.00457  -0.00322   2.11551
   R71        2.63575   0.00007  -0.00012   0.00072   0.00060   2.63634
   R72        2.07855   0.00001   0.00096  -0.00175  -0.00079   2.07776
   R73        2.63563  -0.00002  -0.00017   0.00055   0.00038   2.63602
   R74        2.07873   0.00002   0.00098  -0.00176  -0.00078   2.07795
   R75        2.07830  -0.00008   0.00097  -0.00214  -0.00116   2.07713
   R76        2.63601   0.00004  -0.00014   0.00069   0.00055   2.63655
   R77        2.07833   0.00003   0.00095  -0.00166  -0.00071   2.07762
   R78        2.63503  -0.00002  -0.00017   0.00062   0.00045   2.63548
   R79        2.07798   0.00003   0.00096  -0.00168  -0.00072   2.07726
   R80        2.07786  -0.00007   0.00092  -0.00202  -0.00110   2.07676
   R81        2.65380   0.00004  -0.00386   0.00427   0.00042   2.65422
   R82        2.66399  -0.00220  -0.00010  -0.00591  -0.00600   2.65798
   R83        2.64497  -0.00003   0.00003  -0.00026  -0.00023   2.64475
   R84        2.79951  -0.00044  -0.00163   0.00216   0.00053   2.80004
   R85        2.64194   0.00043   0.00058  -0.00014   0.00044   2.64238
   R86        2.80096  -0.00114  -0.00168  -0.00122  -0.00290   2.79806
   R87        2.63087   0.00034   0.00066   0.00017   0.00082   2.63169
   R88        2.07980   0.00001   0.00109  -0.00195  -0.00086   2.07893
   R89        2.63221   0.00122   0.00073   0.00230   0.00302   2.63523
   R90        2.07954   0.00001   0.00106  -0.00193  -0.00087   2.07867
   R91        2.11246  -0.00004   0.00138  -0.00274  -0.00136   2.11111
   R92        2.11570   0.00016   0.00149  -0.00231  -0.00082   2.11488
   R93        2.11483  -0.00012   0.00126  -0.00276  -0.00149   2.11334
   R94        2.11213  -0.00001   0.00137  -0.00273  -0.00136   2.11077
   R95        2.11470  -0.00010   0.00141  -0.00307  -0.00166   2.11304
   R96        2.11540  -0.00001   0.00142  -0.00276  -0.00134   2.11406
   R97        2.07879  -0.00003   0.00097  -0.00187  -0.00090   2.07789
    A1        1.88309  -0.00156  -0.00142  -0.00768  -0.00910   1.87399
    A2        1.98517   0.00051   0.00003   0.00416   0.00418   1.98936
    A3        2.08026   0.00019   0.00042  -0.00042  -0.00007   2.08019
    A4        2.08219   0.00003   0.00034   0.00013   0.00041   2.08260
    A5        2.11257  -0.00017  -0.00040   0.00398   0.00320   2.11577
    A6        2.13566  -0.00008  -0.00185   0.00250   0.00034   2.13600
    A7        2.05824   0.00009   0.00159  -0.00177  -0.00050   2.05774
    A8        2.08922  -0.00002   0.00030  -0.00110  -0.00111   2.08811
    A9        2.15160  -0.00021  -0.00202   0.00222   0.00006   2.15166
   A10        2.04286   0.00044   0.00154   0.00006   0.00146   2.04432
   A11        2.08767  -0.00024   0.00030  -0.00285  -0.00270   2.08497
   A12        2.12395   0.00025  -0.00139   0.01089   0.00894   2.13288
   A13        2.04962  -0.00013  -0.00023  -0.00363  -0.00373   2.04589
   A14        2.09911  -0.00007   0.00212  -0.00455  -0.00228   2.09683
   A15        2.00793  -0.00208  -0.00039  -0.01623  -0.01662   1.99131
   A16        1.95867   0.00024   0.00208  -0.00625  -0.00423   1.95444
   A17        1.85456   0.00097  -0.00017   0.01366   0.01351   1.86808
   A18        1.92215   0.00119  -0.00133   0.00675   0.00532   1.92746
   A19        1.83303   0.00022  -0.00114   0.00453   0.00343   1.83645
   A20        1.87719  -0.00047   0.00091  -0.00041   0.00047   1.87767
   A21        2.01193   0.00100   0.00208   0.00224   0.00432   2.01625
   A22        1.88429   0.00023  -0.00054   0.00196   0.00143   1.88572
   A23        1.88313  -0.00030  -0.00285   0.00385   0.00100   1.88413
   A24        1.90024  -0.00110  -0.00137  -0.00267  -0.00405   1.89619
   A25        1.86516   0.00015   0.00085   0.00053   0.00137   1.86654
   A26        1.91818   0.00002   0.00192  -0.00642  -0.00451   1.91368
   A27        2.05284  -0.00444  -0.00283  -0.01955  -0.02255   2.03029
   A28        1.88486   0.00183  -0.00063  -0.00056  -0.00165   1.88321
   A29        1.84936   0.00116   0.00002   0.01197   0.01213   1.86149
   A30        1.91377   0.00024   0.00044  -0.01309  -0.01297   1.90080
   A31        1.87395   0.00195   0.00078   0.01965   0.02059   1.89454
   A32        1.88184  -0.00050   0.00278   0.00447   0.00730   1.88914
   A33        1.98779  -0.00242  -0.00047  -0.02217  -0.02263   1.96515
   A34        1.85244   0.00196   0.00040   0.00442   0.00467   1.85711
   A35        1.90979  -0.00003   0.00143  -0.00297  -0.00152   1.90827
   A36        1.92909  -0.00089  -0.00183  -0.00172  -0.00364   1.92545
   A37        1.90127   0.00113   0.00038   0.01324   0.01360   1.91486
   A38        1.88032   0.00038   0.00015   0.01050   0.01059   1.89091
   A39        1.91665  -0.00145  -0.00319  -0.00667  -0.00988   1.90678
   A40        1.93165   0.00140   0.00008   0.00861   0.00869   1.94034
   A41        1.89821  -0.00017  -0.00099  -0.00481  -0.00586   1.89235
   A42        1.91602   0.00005   0.00084  -0.00034   0.00051   1.91654
   A43        1.89479   0.00031   0.00167  -0.00241  -0.00082   1.89397
   A44        1.90599  -0.00015   0.00167   0.00545   0.00712   1.91312
   A45        1.92661   0.00198   0.00152   0.00813   0.00962   1.93623
   A46        1.98269  -0.00032   0.00125  -0.00529  -0.00401   1.97867
   A47        1.87727  -0.00030  -0.00159   0.00635   0.00474   1.88201
   A48        1.91191  -0.00192  -0.00259  -0.00652  -0.00911   1.90280
   A49        1.86547   0.00001  -0.00027  -0.00069  -0.00100   1.86447
   A50        1.89569   0.00059   0.00163  -0.00162   0.00000   1.89569
   A51        1.96112  -0.00032  -0.00043  -0.00200  -0.00244   1.95868
   A52        1.92356   0.00009  -0.00057   0.00038  -0.00019   1.92337
   A53        1.87404   0.00001  -0.00220   0.00186  -0.00034   1.87370
   A54        1.91432   0.00006   0.00118  -0.00187  -0.00070   1.91362
   A55        1.91492   0.00014   0.00074   0.00023   0.00095   1.91587
   A56        1.87346   0.00004   0.00134   0.00166   0.00299   1.87645
   A57        2.13199   0.00024  -0.00114   0.00298   0.00183   2.13382
   A58        2.12102   0.00017   0.00070  -0.00004   0.00065   2.12167
   A59        2.02932  -0.00040   0.00035  -0.00268  -0.00234   2.02699
   A60        1.96571  -0.00019   0.00184   0.00335   0.00501   1.97071
   A61        1.90332   0.00022   0.00146   0.00262   0.00411   1.90743
   A62        1.88983   0.00005  -0.00151  -0.00122  -0.00265   1.88718
   A63        1.89951  -0.00007  -0.00096   0.00116   0.00020   1.89971
   A64        1.91720   0.00007  -0.00090  -0.00274  -0.00357   1.91362
   A65        1.88668  -0.00007   0.00003  -0.00343  -0.00341   1.88326
   A66        1.89916   0.00048   0.00078   0.01196   0.01247   1.91163
   A67        1.91365  -0.00015  -0.00079  -0.00508  -0.00572   1.90793
   A68        1.91996  -0.00013  -0.00015  -0.00003  -0.00018   1.91978
   A69        1.92175  -0.00034  -0.00095  -0.00863  -0.00947   1.91228
   A70        1.92334  -0.00012  -0.00017   0.00050   0.00036   1.92370
   A71        1.88604   0.00025   0.00125   0.00107   0.00227   1.88831
   A72        1.99207  -0.00091  -0.00043  -0.00507  -0.00550   1.98657
   A73        1.89867   0.00022  -0.00032   0.00130   0.00099   1.89966
   A74        1.87396  -0.00033  -0.00260  -0.00296  -0.00556   1.86841
   A75        1.92305   0.00027   0.00191   0.00113   0.00303   1.92608
   A76        1.89495   0.00090  -0.00013   0.00616   0.00600   1.90095
   A77        1.87726  -0.00013   0.00162  -0.00044   0.00116   1.87843
   A78        2.11330  -0.00012  -0.00231   0.00215   0.00002   2.11331
   A79        2.08583   0.00004   0.00043  -0.00188  -0.00127   2.08455
   A80        2.08257   0.00008   0.00194  -0.00014   0.00145   2.08401
   A81        1.93489   0.00002  -0.00005   0.00003  -0.00003   1.93486
   A82        1.91493   0.00013  -0.00045   0.00204   0.00160   1.91653
   A83        1.93116  -0.00071  -0.00112  -0.00203  -0.00315   1.92801
   A84        1.89163   0.00003   0.00012  -0.00007   0.00005   1.89168
   A85        1.89945   0.00023   0.00050  -0.00052  -0.00002   1.89943
   A86        1.89078   0.00033   0.00105   0.00058   0.00164   1.89241
   A87        1.93070  -0.00005  -0.00014   0.00013  -0.00002   1.93069
   A88        1.93981   0.00062   0.00007   0.00445   0.00452   1.94433
   A89        1.91606  -0.00001  -0.00066   0.00087   0.00021   1.91627
   A90        1.89362  -0.00020   0.00024  -0.00090  -0.00066   1.89296
   A91        1.89377  -0.00009   0.00018  -0.00226  -0.00208   1.89168
   A92        1.88874  -0.00030   0.00034  -0.00253  -0.00219   1.88655
   A93        1.94554  -0.00007   0.00396   0.00409   0.00757   1.95312
   A94        1.90144   0.00005  -0.00033  -0.00194  -0.00208   1.89936
   A95        1.91219   0.00005   0.00057   0.00136   0.00201   1.91420
   A96        1.92626   0.00001  -0.00134  -0.00438  -0.00559   1.92067
   A97        1.89423   0.00002  -0.00227   0.00428   0.00208   1.89631
   A98        1.88313  -0.00007  -0.00070  -0.00361  -0.00438   1.87875
   A99        2.09816   0.00014   0.00020   0.00057   0.00077   2.09893
   A100       2.10172  -0.00005   0.00037  -0.00090  -0.00053   2.10119
   A101       2.08328  -0.00009  -0.00057   0.00034  -0.00024   2.08304
   A102       2.09984   0.00013   0.00041  -0.00007   0.00033   2.10017
   A103       2.10196  -0.00004   0.00009  -0.00009  -0.00001   2.10195
   A104       2.08103  -0.00008  -0.00057   0.00030  -0.00028   2.08075
   A105       2.13996   0.00007   0.00372  -0.00571  -0.00257   2.13739
   A106       2.05545   0.00249   0.00229   0.00752   0.00922   2.06467
   A107       2.08774  -0.00256  -0.00597  -0.00131  -0.00786   2.07987
   A108       2.09909   0.00004   0.00025   0.00003   0.00028   2.09937
   A109       2.09064  -0.00011  -0.00038  -0.00057  -0.00095   2.08970
   A110       2.09345   0.00007   0.00013   0.00054   0.00067   2.09412
   A111       2.09886   0.00004   0.00022   0.00010   0.00031   2.09918
   A112       2.09466  -0.00010  -0.00019  -0.00082  -0.00102   2.09364
   A113       2.08963   0.00007  -0.00003   0.00074   0.00071   2.09034
   A114       2.10014   0.00005   0.00022   0.00016   0.00038   2.10052
   A115       2.08921  -0.00010  -0.00035  -0.00053  -0.00089   2.08832
   A116       2.09378   0.00005   0.00013   0.00038   0.00051   2.09429
   A117       2.10046   0.00001   0.00026  -0.00008   0.00019   2.10065
   A118       2.09125  -0.00011  -0.00045  -0.00044  -0.00090   2.09035
   A119       2.09146   0.00011   0.00019   0.00054   0.00072   2.09218
   A120       1.95355  -0.00622  -0.01066  -0.01079  -0.02148   1.93207
   A121       1.87072   0.00156   0.00012   0.00808   0.00824   1.87896
   A122       1.95726   0.00140   0.00603  -0.00686  -0.00091   1.95634
   A123       1.86598   0.00359   0.00136   0.01927   0.02061   1.88659
   A124       1.89548   0.00041   0.00320  -0.00400  -0.00088   1.89460
   A125       1.91854  -0.00058  -0.00013  -0.00427  -0.00447   1.91407
   A126       2.09653   0.00004   0.00025  -0.00026  -0.00001   2.09652
   A127       2.09187  -0.00002  -0.00016   0.00007  -0.00009   2.09179
   A128       2.09478  -0.00001  -0.00009   0.00019   0.00010   2.09488
   A129       2.09661   0.00002   0.00027  -0.00034  -0.00007   2.09654
   A130       2.09151  -0.00004  -0.00017  -0.00006  -0.00022   2.09129
   A131       2.09507   0.00001  -0.00010   0.00040   0.00029   2.09536
   A132       2.09199  -0.00005  -0.00042   0.00014  -0.00027   2.09172
   A133       2.09579   0.00001   0.00019  -0.00016   0.00002   2.09581
   A134       2.09540   0.00004   0.00023   0.00002   0.00025   2.09565
   A135       2.09679   0.00004   0.00025  -0.00027  -0.00002   2.09677
   A136       2.09160  -0.00003  -0.00020   0.00009  -0.00011   2.09150
   A137       2.09479  -0.00001  -0.00005   0.00018   0.00013   2.09492
   A138       2.09656   0.00004   0.00023  -0.00014   0.00009   2.09665
   A139       2.09228  -0.00003  -0.00018  -0.00003  -0.00021   2.09207
   A140       2.09435  -0.00001  -0.00005   0.00017   0.00012   2.09447
   A141       2.09137  -0.00005  -0.00041   0.00007  -0.00034   2.09103
   A142       2.09579   0.00002   0.00021  -0.00009   0.00012   2.09592
   A143       2.09602   0.00003   0.00020   0.00002   0.00022   2.09623
   A144       2.06981  -0.00617  -0.00820  -0.01462  -0.02286   2.04695
   A145       2.09580   0.00406   0.00476   0.01085   0.01557   2.11137
   A146       2.11303   0.00214   0.00297   0.00478   0.00773   2.12077
   A147       2.06973  -0.00018  -0.00062   0.00009  -0.00055   2.06918
   A148       2.12178  -0.00351  -0.00403  -0.00842  -0.01249   2.10930
   A149       2.09150   0.00369   0.00464   0.00846   0.01306   2.10456
   A150       2.07346  -0.00152  -0.00204  -0.00423  -0.00627   2.06718
   A151       2.11844  -0.00013   0.00061  -0.00007   0.00052   2.11896
   A152       2.09124   0.00164   0.00145   0.00436   0.00580   2.09704
   A153       2.10901  -0.00121  -0.00050  -0.00440  -0.00490   2.10411
   A154       2.08346   0.00047  -0.00021   0.00156   0.00135   2.08480
   A155       2.09072   0.00073   0.00071   0.00285   0.00356   2.09427
   A156       2.10401   0.00025  -0.00014   0.00169   0.00155   2.10556
   A157       2.08583  -0.00018  -0.00038  -0.00102  -0.00139   2.08444
   A158       2.09332  -0.00006   0.00052  -0.00067  -0.00015   2.09317
   A159       1.93889   0.00005  -0.00009   0.00174   0.00165   1.94054
   A160       1.92129   0.00032   0.00040   0.00205   0.00244   1.92374
   A161       1.92566  -0.00020  -0.00018  -0.00100  -0.00118   1.92448
   A162       1.88926   0.00022  -0.00011   0.00185   0.00174   1.89100
   A163       1.88854   0.00053   0.00008   0.00294   0.00302   1.89157
   A164       1.89917  -0.00093  -0.00011  -0.00774  -0.00785   1.89132
   A165       1.93567   0.00010   0.00013   0.00138   0.00150   1.93717
   A166       1.92751  -0.00011  -0.00011  -0.00002  -0.00013   1.92738
   A167       1.92226   0.00005   0.00005   0.00066   0.00070   1.92296
   A168       1.89347   0.00010   0.00057   0.00004   0.00061   1.89408
   A169       1.89047   0.00000  -0.00009  -0.00028  -0.00036   1.89010
   A170       1.89341  -0.00014  -0.00056  -0.00186  -0.00242   1.89099
   A171       2.09632   0.00053   0.00023   0.00253   0.00274   2.09906
   A172       2.09337  -0.00024  -0.00012  -0.00106  -0.00118   2.09219
   A173       2.09343  -0.00029  -0.00012  -0.00139  -0.00151   2.09193
    D1       -1.02960  -0.00031  -0.00452  -0.00614  -0.01070  -1.04031
    D2        3.12720   0.00093  -0.00221   0.00656   0.00433   3.13152
    D3        1.10275  -0.00055  -0.00330  -0.00660  -0.00984   1.09291
    D4        2.48808  -0.00274   0.04079   0.00455   0.04532   2.53340
    D5       -1.75444  -0.00088   0.03639   0.02685   0.06326  -1.69118
    D6        0.35265   0.00027   0.03982   0.02277   0.06260   0.41525
    D7       -2.02548   0.00098  -0.02883  -0.01789  -0.04670  -2.07218
    D8        1.21724   0.00052  -0.02254  -0.02948  -0.05204   1.16520
    D9        0.81494  -0.00014   0.00085   0.02013   0.02096   0.83589
   D10       -1.31347   0.00044   0.00163   0.02059   0.02219  -1.29128
   D11        2.89739   0.00047   0.00122   0.02502   0.02621   2.92360
   D12       -2.19118  -0.00052  -0.00192  -0.01065  -0.01255  -2.20372
   D13        1.96360   0.00007  -0.00115  -0.01019  -0.01131   1.95229
   D14       -0.10872   0.00009  -0.00155  -0.00576  -0.00730  -0.11601
   D15        2.76272   0.00000   0.00051  -0.00405  -0.00352   2.75920
   D16       -1.40987  -0.00006   0.00149   0.00142   0.00291  -1.40696
   D17        0.63914   0.00000   0.00150  -0.00190  -0.00039   0.63875
   D18       -0.51679   0.00040   0.00341   0.02697   0.03042  -0.48637
   D19        1.59381   0.00034   0.00438   0.03244   0.03684   1.63065
   D20       -2.64036   0.00040   0.00439   0.02912   0.03354  -2.60682
   D21       -0.05803  -0.00020  -0.00160  -0.00382  -0.00537  -0.06341
   D22       -3.14060  -0.00016  -0.00286  -0.00640  -0.00920   3.13338
   D23       -3.06157  -0.00062  -0.00450  -0.03483  -0.03932  -3.10088
   D24        0.13905  -0.00058  -0.00576  -0.03741  -0.04315   0.09590
   D25       -1.24526   0.00003  -0.00064  -0.00504  -0.00563  -1.25088
   D26        2.82202  -0.00005  -0.00029   0.00509   0.00475   2.82677
   D27        0.77485  -0.00021  -0.00238   0.00063  -0.00179   0.77306
   D28        1.90823   0.00054   0.00636   0.03162   0.03806   1.94628
   D29       -0.30769   0.00046   0.00672   0.04176   0.04843  -0.25925
   D30       -2.35486   0.00031   0.00462   0.03729   0.04189  -2.31296
   D31        0.02726   0.00056   0.00979   0.03093   0.04070   0.06796
   D32        3.12516   0.00070   0.00696   0.03761   0.04456  -3.11346
   D33       -3.12643   0.00003   0.00265  -0.00636  -0.00371  -3.13014
   D34       -0.02853   0.00017  -0.00018   0.00031   0.00015  -0.02838
   D35       -2.19460   0.00009   0.01503   0.07809   0.09312  -2.10148
   D36        1.93324   0.00132   0.01635   0.08430   0.10067   2.03391
   D37       -0.16533   0.00099   0.01462   0.08524   0.09990  -0.06543
   D38        0.89720   0.00003   0.00579   0.06473   0.07049   0.96769
   D39       -1.25815   0.00127   0.00712   0.07094   0.07805  -1.18010
   D40        2.92646   0.00094   0.00539   0.07188   0.07728   3.00375
   D41        0.04664  -0.00035   0.00169  -0.03437  -0.03252   0.01412
   D42       -3.10370   0.00065  -0.00449   0.03546   0.03086  -3.07284
   D43       -3.04393  -0.00032   0.01114  -0.02077  -0.00951  -3.05345
   D44        0.08891   0.00068   0.00497   0.04906   0.05387   0.14278
   D45        3.01021   0.00080   0.00794   0.04409   0.05207   3.06227
   D46       -0.18947   0.00076   0.00907   0.04677   0.05588  -0.13359
   D47        0.02360   0.00046   0.00431   0.02472   0.02907   0.05267
   D48        3.10711   0.00041   0.00544   0.02740   0.03288   3.13999
   D49        0.60645  -0.00074  -0.00894  -0.04506  -0.05403   0.55242
   D50        2.73633  -0.00074  -0.00828  -0.04922  -0.05755   2.67878
   D51       -1.49047  -0.00076  -0.00898  -0.05392  -0.06289  -1.55336
   D52       -2.69445  -0.00039  -0.00545  -0.02502  -0.03046  -2.72491
   D53       -0.56458  -0.00038  -0.00479  -0.02918  -0.03398  -0.59856
   D54        1.49181  -0.00041  -0.00549  -0.03388  -0.03932   1.45249
   D55       -1.16156   0.00103  -0.00460   0.05858   0.05393  -1.10762
   D56        1.01453  -0.00044  -0.00673   0.02550   0.01879   1.03332
   D57        3.02715   0.00042  -0.00381   0.03631   0.03251   3.05966
   D58        1.07280   0.00067  -0.00323   0.04239   0.03912   1.11192
   D59       -3.03430  -0.00079  -0.00536   0.00931   0.00397  -3.03032
   D60       -1.02168   0.00006  -0.00244   0.02012   0.01769  -1.00399
   D61        3.08921   0.00081  -0.00342   0.04752   0.04406   3.13327
   D62       -1.01788  -0.00066  -0.00556   0.01444   0.00891  -1.00897
   D63        0.99473   0.00020  -0.00264   0.02525   0.02263   1.01737
   D64       -1.00761  -0.00095  -0.00304  -0.02847  -0.03152  -1.03913
   D65        1.13311  -0.00104  -0.00224  -0.03201  -0.03426   1.09885
   D66       -3.11474  -0.00093  -0.00221  -0.02877  -0.03100   3.13745
   D67        3.01439   0.00068  -0.00309  -0.00706  -0.01013   3.00426
   D68       -1.12807   0.00059  -0.00229  -0.01060  -0.01287  -1.14094
   D69        0.90726   0.00070  -0.00226  -0.00736  -0.00960   0.89766
   D70        1.02600   0.00007  -0.00156  -0.01561  -0.01716   1.00884
   D71       -3.11646  -0.00002  -0.00076  -0.01915  -0.01990  -3.13636
   D72       -1.08112   0.00008  -0.00073  -0.01591  -0.01664  -1.09776
   D73       -3.12588   0.00029  -0.00773   0.00984   0.00209  -3.12378
   D74        1.03912   0.00028  -0.00670   0.00907   0.00238   1.04150
   D75       -1.05470  -0.00029  -0.00818   0.00015  -0.00799  -1.06269
   D76       -1.00607   0.00043  -0.00803   0.01190   0.00384  -1.00223
   D77       -3.12425   0.00041  -0.00700   0.01113   0.00412  -3.12013
   D78        1.06511  -0.00015  -0.00849   0.00221  -0.00625   1.05887
   D79        1.06495  -0.00006  -0.00602   0.00318  -0.00288   1.06207
   D80       -1.05324  -0.00007  -0.00499   0.00241  -0.00259  -1.05583
   D81        3.13613  -0.00063  -0.00647  -0.00651  -0.01296   3.12317
   D82        1.50747   0.00069   0.00312   0.06508   0.06819   1.57567
   D83       -1.59072   0.00055   0.00596   0.05836   0.06433  -1.52640
   D84       -0.68843   0.00002   0.00178   0.06274   0.06453  -0.62391
   D85        2.49656  -0.00012   0.00462   0.05603   0.06066   2.55722
   D86       -2.72588   0.00047   0.00046   0.06727   0.06772  -2.65816
   D87        0.45911   0.00033   0.00330   0.06056   0.06385   0.52296
   D88        1.35389  -0.00016   0.01990   0.07977   0.09973   1.45362
   D89       -2.84588   0.00008   0.01878   0.06917   0.08810  -2.75777
   D90       -0.78316   0.00071   0.01810   0.08902   0.10728  -0.67587
   D91       -0.80774   0.00059   0.02263   0.10719   0.12964  -0.67810
   D92        1.27568   0.00082   0.02150   0.09659   0.11801   1.39369
   D93       -2.94478   0.00146   0.02083   0.11644   0.13719  -2.80759
   D94       -2.84776  -0.00003   0.01868   0.09786   0.11646  -2.73131
   D95       -0.76434   0.00020   0.01755   0.08726   0.10483  -0.65951
   D96        1.29838   0.00083   0.01688   0.10711   0.12401   1.42239
   D97       -1.11574  -0.00086  -0.01076  -0.01490  -0.02569  -1.14142
   D98        1.08010  -0.00124  -0.00993  -0.02059  -0.03058   1.04952
   D99        3.13084  -0.00155  -0.00952  -0.02634  -0.03589   3.09496
   D100       3.00401   0.00138  -0.00934   0.01044   0.00113   3.00514
   D101      -1.08334   0.00100  -0.00851   0.00475  -0.00377  -1.08711
   D102       0.96740   0.00069  -0.00810  -0.00100  -0.00907   0.95833
   D103       0.92853   0.00029  -0.00884  -0.01097  -0.01978   0.90875
   D104       3.12437  -0.00009  -0.00801  -0.01666  -0.02467   3.09970
   D105      -1.10808  -0.00040  -0.00760  -0.02240  -0.02998  -1.13805
   D106      -0.96597  -0.00058  -0.00139  -0.02583  -0.02723  -0.99320
   D107      -3.05469  -0.00071  -0.00122  -0.02708  -0.02831  -3.08300
   D108       1.14317  -0.00075  -0.00154  -0.02783  -0.02937   1.11380
   D109       1.16157   0.00025  -0.00282  -0.01966  -0.02249   1.13908
   D110      -0.92715   0.00012  -0.00265  -0.02091  -0.02357  -0.95072
   D111      -3.01248   0.00008  -0.00297  -0.02166  -0.02463  -3.03711
   D112      -3.03926   0.00029   0.00066  -0.01469  -0.01403  -3.05328
   D113       1.15521   0.00016   0.00083  -0.01594  -0.01510   1.14010
   D114      -0.93012   0.00011   0.00051  -0.01668  -0.01617  -0.94629
   D115       1.01503  -0.00046  -0.00171  -0.01485  -0.01657   0.99845
   D116      -1.08973  -0.00059  -0.00197  -0.01677  -0.01875  -1.10848
   D117       3.10449  -0.00061  -0.00200  -0.01701  -0.01903   3.08545
   D118      -1.10353   0.00041   0.00168  -0.01188  -0.01020  -1.11373
   D119       3.07490   0.00028   0.00142  -0.01380  -0.01238   3.06252
   D120       0.98593   0.00027   0.00138  -0.01404  -0.01266   0.97327
   D121       3.10418   0.00010  -0.00182  -0.01203  -0.01384   3.09034
   D122       0.99942  -0.00003  -0.00208  -0.01395  -0.01602   0.98341
   D123      -1.08955  -0.00005  -0.00212  -0.01419  -0.01629  -1.10584
   D124      -0.84654   0.00035  -0.00097  -0.03230  -0.03326  -0.87979
   D125       1.30874   0.00023   0.00097  -0.03341  -0.03243   1.27630
   D126      -2.94772   0.00002   0.00132  -0.03483  -0.03351  -2.98123
   D127      -3.00988  -0.00054  -0.00189  -0.03412  -0.03601  -3.04589
   D128      -0.85461  -0.00066   0.00006  -0.03523  -0.03518  -0.88979
   D129       1.17212  -0.00087   0.00041  -0.03665  -0.03626   1.13585
   D130       1.24159   0.00017  -0.00107  -0.02878  -0.02983   1.21176
   D131      -2.88632   0.00005   0.00087  -0.02988  -0.02900  -2.91533
   D132      -0.85960  -0.00016   0.00122  -0.03130  -0.03009  -0.88968
   D133      -1.47811   0.00013   0.00305   0.01392   0.01698  -1.46113
   D134       1.67166   0.00011   0.00433   0.01248   0.01681   1.68846
   D135       2.65915   0.00019   0.00323   0.01618   0.01941   2.67856
   D136      -0.47427   0.00018   0.00450   0.01473   0.01924  -0.45504
   D137       0.60531   0.00002   0.00050   0.01513   0.01563   0.62094
   D138      -2.52811   0.00001   0.00177   0.01369   0.01545  -2.51266
   D139       0.89400  -0.00009  -0.00417  -0.02194  -0.02617   0.86783
   D140       2.99680  -0.00030  -0.00532  -0.02822  -0.03359   2.96320
   D141      -1.21459  -0.00016  -0.00436  -0.03003  -0.03440  -1.24900
   D142      -1.21877  -0.00019  -0.00655  -0.02823  -0.03478  -1.25355
   D143       0.88403  -0.00041  -0.00770  -0.03451  -0.04221   0.84182
   D144       2.95582  -0.00027  -0.00674  -0.03632  -0.04302   2.91280
   D145       3.00197  -0.00010  -0.00549  -0.02318  -0.02871   2.97326
   D146      -1.17842  -0.00032  -0.00664  -0.02946  -0.03614  -1.21455
   D147       0.89338  -0.00018  -0.00568  -0.03127  -0.03694   0.85643
   D148      -0.93228   0.00024   0.00595   0.03163   0.03765  -0.89463
   D149      -3.04775   0.00021   0.00462   0.03435   0.03905  -3.00870
   D150       1.17519   0.00027   0.00766   0.03868   0.04633   1.22152
   D151      -3.03007   0.00033   0.00700   0.03567   0.04274  -2.98733
   D152       1.13765   0.00031   0.00567   0.03838   0.04413   1.18178
   D153      -0.92259   0.00037   0.00871   0.04272   0.05142  -0.87118
   D154       1.17423   0.00031   0.00615   0.03943   0.04560   1.21983
   D155      -0.94124   0.00028   0.00482   0.04214   0.04699  -0.89424
   D156      -3.00148   0.00034   0.00786   0.04648   0.05428  -2.94720
   D157      -1.34732   0.00018   0.00475   0.01866   0.02342  -1.32390
   D158       1.82302   0.00008   0.00902   0.01304   0.02207   1.84509
   D159       2.79382   0.00034   0.00402   0.01976   0.02379   2.81761
   D160      -0.31903   0.00024   0.00829   0.01414   0.02244  -0.29659
   D161       0.74210  -0.00019   0.00107   0.01601   0.01705   0.75915
   D162      -2.37075  -0.00029   0.00533   0.01038   0.01570  -2.35505
   D163      -3.13640   0.00001   0.00101  -0.00005   0.00096  -3.13544
   D164       0.00579   0.00001   0.00094  -0.00009   0.00085   0.00665
   D165      -0.00289   0.00002  -0.00025   0.00137   0.00113  -0.00176
   D166       3.13930   0.00002  -0.00032   0.00134   0.00102   3.14032
   D167       3.13589   0.00001  -0.00108   0.00087  -0.00021   3.13568
   D168       0.00274  -0.00003  -0.00014  -0.00120  -0.00134   0.00140
   D169       0.00240  -0.00001   0.00019  -0.00057  -0.00038   0.00202
   D170      -3.13075  -0.00004   0.00113  -0.00264  -0.00151  -3.13226
   D171      -3.12005   0.00002   0.00331   0.00026   0.00358  -3.11647
   D172       0.03254   0.00000   0.00370  -0.00031   0.00339   0.03593
   D173      -0.00686   0.00012  -0.00090   0.00581   0.00492  -0.00194
   D174      -3.13746   0.00010  -0.00051   0.00524   0.00473  -3.13273
   D175       3.11820   0.00000  -0.00360   0.00035  -0.00324   3.11496
   D176      -0.01820  -0.00011  -0.00187  -0.00318  -0.00505  -0.02325
   D177       0.00505  -0.00011   0.00062  -0.00520  -0.00459   0.00046
   D178      -3.13135  -0.00021   0.00234  -0.00873  -0.00639  -3.13775
   D179       2.77239   0.00140   0.00662   0.05138   0.05803   2.83042
   D180       0.72887   0.00074   0.01167   0.03581   0.04761   0.77648
   D181      -1.34050  -0.00076   0.00946   0.03239   0.04194  -1.29856
   D182      -0.36088   0.00046   0.01253  -0.01503  -0.00265  -0.36352
   D183      -2.40440  -0.00021   0.01758  -0.03061  -0.01307  -2.41747
   D184       1.80942  -0.00170   0.01536  -0.03403  -0.01874   1.79068
   D185       0.00106  -0.00002   0.00010  -0.00092  -0.00082   0.00024
   D186      -3.14107  -0.00001   0.00002  -0.00063  -0.00061   3.14151
   D187      -3.14113  -0.00001   0.00018  -0.00089  -0.00072   3.14133
   D188      -0.00007  -0.00001   0.00009  -0.00060  -0.00050  -0.00058
   D189      -0.00007  -0.00001   0.00002  -0.00069  -0.00067  -0.00075
   D190      -3.14004  -0.00003   0.00016  -0.00146  -0.00130  -3.14134
   D191       3.13310   0.00002  -0.00092   0.00136   0.00045   3.13355
   D192      -0.00686   0.00001  -0.00078   0.00060  -0.00018  -0.00704
   D193       0.00421  -0.00005   0.00059  -0.00212  -0.00153   0.00268
   D194      -3.13396  -0.00005   0.00044  -0.00257  -0.00213  -3.13609
   D195       3.13479  -0.00003   0.00020  -0.00156  -0.00136   3.13343
   D196      -0.00339  -0.00004   0.00005  -0.00200  -0.00195  -0.00534
   D197      -0.00059   0.00002  -0.00003   0.00090   0.00087   0.00028
   D198      -3.14126  -0.00001   0.00049   0.00016   0.00064  -3.14061
   D199       3.13581   0.00012  -0.00176   0.00443   0.00267   3.13848
   D200      -0.00486   0.00010  -0.00124   0.00368   0.00245  -0.00241
   D201       0.00129  -0.00001   0.00010  -0.00034  -0.00024   0.00105
   D202       3.14094   0.00001  -0.00010   0.00069   0.00060   3.14153
   D203      -3.13977  -0.00001   0.00018  -0.00064  -0.00045  -3.14022
   D204      -0.00012   0.00001  -0.00002   0.00040   0.00038   0.00026
   D205      -0.00178   0.00002  -0.00016   0.00115   0.00099  -0.00080
   D206      -3.14143   0.00000   0.00004   0.00011   0.00015  -3.14128
   D207       3.13818   0.00003  -0.00031   0.00192   0.00161   3.13979
   D208      -0.00147   0.00002  -0.00011   0.00088   0.00078  -0.00069
   D209       0.00031  -0.00005   0.00000  -0.00224  -0.00223  -0.00192
   D210      -3.14134   0.00000  -0.00031  -0.00021  -0.00052   3.14132
   D211       3.13848  -0.00004   0.00015  -0.00179  -0.00164   3.13684
   D212      -0.00317   0.00001  -0.00016   0.00023   0.00007  -0.00310
   D213      -0.00212   0.00006  -0.00028   0.00285   0.00256   0.00045
   D214       3.13953   0.00002   0.00003   0.00082   0.00085   3.14039
   D215       3.13855   0.00008  -0.00080   0.00359   0.00279   3.14134
   D216      -0.00298   0.00004  -0.00049   0.00157   0.00108  -0.00191
   D217      -3.07740  -0.00012   0.00308  -0.00075   0.00227  -3.07512
   D218       0.04415   0.00021  -0.00298   0.00685   0.00389   0.04804
   D219      -0.03797   0.00046  -0.00321   0.01131   0.00810  -0.02986
   D220       3.08358   0.00079  -0.00928   0.01891   0.00973   3.09331
   D221       3.08015  -0.00039  -0.00378  -0.00104  -0.00487   3.07528
   D222      -0.05102  -0.00042  -0.00571  -0.00698  -0.01270  -0.06371
   D223       0.04223  -0.00039   0.00310  -0.01180  -0.00868   0.03355
   D224      -3.08894  -0.00041   0.00117  -0.01773  -0.01651  -3.10544
   D225       0.00768  -0.00027   0.00104  -0.00308  -0.00205   0.00563
   D226      -3.13802  -0.00004  -0.00114   0.00115   0.00000  -3.13802
   D227      -3.11422  -0.00051   0.00692  -0.01035  -0.00337  -3.11759
   D228       0.02326  -0.00028   0.00475  -0.00612  -0.00132   0.02194
   D229      -2.85970  -0.00022  -0.00261  -0.02393  -0.02653  -2.88623
   D230       1.33103  -0.00074  -0.00268  -0.02870  -0.03138   1.29966
   D231      -0.76528   0.00034  -0.00268  -0.01976  -0.02244  -0.78772
   D232       0.26160   0.00007  -0.00870  -0.01633  -0.02503   0.23657
   D233      -1.83085  -0.00045  -0.00877  -0.02111  -0.02989  -1.86073
   D234       2.35602   0.00063  -0.00878  -0.01217  -0.02095   2.33507
   D235      -0.01613   0.00007  -0.00080   0.00382   0.00302  -0.01312
   D236       3.13270   0.00009  -0.00097   0.00191   0.00094   3.13364
   D237       3.11520   0.00008   0.00109   0.00964   0.01071   3.12591
   D238      -0.01915   0.00010   0.00091   0.00772   0.00863  -0.01052
   D239       2.75531   0.00006   0.00188   0.01001   0.01191   2.76722
   D240       0.65560  -0.00005   0.00115   0.00907   0.01024   0.66584
   D241      -1.43536   0.00016   0.00188   0.01098   0.01288  -1.42248
   D242      -0.37575   0.00005  -0.00003   0.00407   0.00402  -0.37173
   D243      -2.47546  -0.00006  -0.00075   0.00313   0.00236  -2.47311
   D244       1.71676   0.00015  -0.00002   0.00503   0.00499   1.72175
   D245       0.01784  -0.00011   0.00116  -0.00481  -0.00363   0.01420
   D246      -3.13553   0.00015  -0.00018   0.00365   0.00347  -3.13206
   D247      -3.11963  -0.00033   0.00334  -0.00906  -0.00569  -3.12532
   D248       0.01019  -0.00008   0.00200  -0.00060   0.00141   0.01160
   D249      -0.01347   0.00020  -0.00126   0.00437   0.00311  -0.01036
   D250       3.13990  -0.00006   0.00008  -0.00409  -0.00399   3.13591
   D251       3.12085   0.00018  -0.00109   0.00629   0.00519   3.12604
   D252      -0.00897  -0.00008   0.00025  -0.00217  -0.00191  -0.01088
         Item               Value     Threshold  Converged?
 Maximum Force            0.006220     0.000450     NO 
 RMS     Force            0.000830     0.000300     NO 
 Maximum Displacement     1.032292     0.001800     NO 
 RMS     Displacement     0.225118     0.001200     NO 
 Predicted change in Energy=-2.265181D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.153068    0.344509    0.304199
      2          8           0       -3.686251    0.156303    2.158466
      3          8           0       -3.342595    2.607714   -2.040187
      4          8           0        3.077988   -3.252276   -0.411156
      5          8           0        4.096687   -0.137193   -1.817064
      6          7           0       -3.276528    2.683239    0.279764
      7          7           0       -3.226094   -0.476543   -0.001126
      8          7           0        2.299488   -1.129683    0.006949
      9          7           0       -1.833302    4.050447   -1.095954
     10          6           0       -2.663487   -1.756921    0.357253
     11          6           0       -4.343434    1.712596    0.384790
     12          6           0       -1.305883   -1.667724    1.072375
     13          6           0       -0.161315   -1.072959    0.272202
     14          6           0       -5.530973    2.123607    1.282550
     15          6           0        1.209060   -1.535243    0.860288
     16          6           0       -2.572745   -2.705112   -0.851836
     17          6           0       -3.739023    0.390456    0.934810
     18          6           0       -2.754849    3.289798    1.482927
     19          6           0       -1.344986    3.852081    1.302818
     20          6           0        1.336807   -1.015389    2.302015
     21          6           0       -2.854410    3.107928   -0.993022
     22          6           0       -6.547583    1.000658    1.311187
     23          6           0       -6.183891    3.394629    0.778466
     24          6           0       -1.300171    4.728053    0.050143
     25          6           0       -3.903790   -2.968187   -1.461675
     26          6           0        2.660655   -1.285425    2.922669
     27          6           0        3.172571   -2.015633   -0.571004
     28          6           0       -4.739324   -3.958377   -0.931563
     29          6           0       -4.329367   -2.235726   -2.576026
     30          6           0        2.980725   -2.571798    3.374568
     31          6           0        3.588547   -0.251171    3.092000
     32          6           0        4.350256   -1.477648   -1.386304
     33          6           0       -5.983554   -4.210331   -1.507077
     34          6           0       -5.574406   -2.489117   -3.149983
     35          6           0       -6.403399   -3.476006   -2.616483
     36          6           0        4.209719   -2.818776    3.983424
     37          6           0        4.816963   -0.499585    3.702937
     38          6           0        5.129682   -1.783131    4.149849
     39          6           0        5.230356    0.668832   -1.854541
     40          6           0        5.242294    1.802055   -1.024827
     41          6           0        6.265771    0.419437   -2.773282
     42          6           0        6.333543    2.675079   -1.100421
     43          6           0        7.343249    1.309414   -2.820076
     44          6           0        4.114650    2.082666   -0.105498
     45          6           0        6.228615   -0.751680   -3.678536
     46          6           0        7.379677    2.425815   -1.985236
     47          1           0       -3.368388   -2.230613    1.113016
     48          1           0       -4.760397    1.537561   -0.655224
     49          1           0       -1.447832   -1.064009    2.008171
     50          1           0       -1.028575   -2.714932    1.368350
     51          1           0       -0.223927   -1.421993   -0.798540
     52          1           0       -5.147251    2.285044    2.328036
     53          1           0        1.190256   -2.666548    0.884523
     54          1           0       -3.280600   -0.246306   -0.966350
     55          1           0       -1.880719   -2.280764   -1.625710
     56          1           0       -2.124336   -3.667785   -0.489359
     57          1           0       -3.441674    4.124728    1.807577
     58          1           0       -2.750365    2.508337    2.296431
     59          1           0       -1.074308    4.463989    2.196961
     60          1           0       -0.606170    3.013632    1.215873
     61          1           0        1.118657    0.085463    2.311042
     62          1           0        0.539936   -1.525000    2.907710
     63          1           0       -6.887239    0.745767    0.279276
     64          1           0       -7.437957    1.311620    1.908135
     65          1           0       -6.108371    0.088324    1.781646
     66          1           0       -6.523762    3.269907   -0.277409
     67          1           0       -5.480383    4.258974    0.823243
     68          1           0       -7.073157    3.638359    1.408232
     69          1           0       -0.240190    5.033139   -0.169189
     70          1           0       -1.893813    5.669073    0.245910
     71          1           0        2.369725   -0.160763   -0.210351
     72          1           0       -1.560524    4.325523   -2.008194
     73          1           0       -0.990221    0.645322   -0.064787
     74          1           0       -4.410714   -4.538458   -0.056878
     75          1           0       -3.677056   -1.461264   -3.006167
     76          1           0        2.260342   -3.391572    3.237622
     77          1           0        3.345091    0.763369    2.743749
     78          1           0        4.459535   -2.116534   -2.305628
     79          1           0        5.277727   -1.551457   -0.763745
     80          1           0       -6.634047   -4.989790   -1.084934
     81          1           0       -5.901173   -1.909439   -4.025381
     82          1           0       -7.384695   -3.675290   -3.069832
     83          1           0        4.454254   -3.832976    4.330329
     84          1           0        5.539273    0.318814    3.832620
     85          1           0        6.098508   -1.978740    4.630322
     86          1           0        6.359675    3.565434   -0.454776
     87          1           0        8.165579    1.125835   -3.527213
     88          1           0        4.156466    3.131729    0.276261
     89          1           0        4.147726    1.387332    0.770804
     90          1           0        3.139383    1.938136   -0.633351
     91          1           0        6.888203   -0.592650   -4.565822
     92          1           0        5.185881   -0.933407   -4.039078
     93          1           0        6.579458   -1.667167   -3.139732
     94          1           0        8.235840    3.114384   -2.028971
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0848378      0.0362373      0.0335752
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3179.9437419912 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.239922085060     A.U. after   16 cycles
             Convg  =    0.5802D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.001485494   -0.000139281    0.002586578
      2        8           0.000277495   -0.000422866   -0.000604644
      3        8          -0.000156708   -0.000596090   -0.000249601
      4        8           0.001485320    0.001956147    0.000805032
      5        8          -0.000677948    0.001608532   -0.000144428
      6        7          -0.001015289    0.001893006    0.001535359
      7        7           0.002298803   -0.000435858    0.001412967
      8        7          -0.000064631   -0.000196991    0.000690438
      9        7          -0.000282534    0.000998446    0.000653846
     10        6          -0.001329715    0.000535151   -0.000901427
     11        6           0.001458457   -0.000498174    0.000740925
     12        6          -0.002539368   -0.001149579   -0.000687856
     13        6           0.000876588   -0.000050304   -0.003409523
     14        6           0.001430945    0.000787104    0.001067125
     15        6           0.001718485    0.001618371   -0.002596608
     16        6          -0.000386825    0.000004248   -0.000425518
     17        6          -0.001127603    0.000169280   -0.000542153
     18        6           0.000886396    0.000033994   -0.001223378
     19        6          -0.000194411    0.001431858   -0.000199035
     20        6           0.000282459   -0.001225014    0.000902606
     21        6           0.000605867   -0.001208730   -0.000926092
     22        6          -0.000580156    0.000635913   -0.000012418
     23        6           0.000016168   -0.001100266   -0.000866784
     24        6          -0.001316327   -0.000305269   -0.001002569
     25        6          -0.000150071   -0.000194565    0.000030064
     26        6          -0.000375009    0.000221877    0.000139936
     27        6           0.000066215   -0.003577134    0.000573023
     28        6          -0.000134656    0.000398032    0.000098357
     29        6          -0.000241082    0.000238101   -0.000209881
     30        6           0.000438351   -0.000146497   -0.000158588
     31        6          -0.000163156   -0.000388884   -0.000108196
     32        6          -0.002053736    0.001942376   -0.002552494
     33        6           0.000481835    0.000072511    0.000150517
     34        6          -0.000375504   -0.000411925   -0.000109272
     35        6           0.000306936   -0.000411697    0.000125328
     36        6           0.000287121    0.000314662    0.000320281
     37        6          -0.000472234    0.000036930   -0.000375683
     38        6          -0.000056881    0.000547504    0.000022481
     39        6           0.000367147    0.000283645   -0.002204120
     40        6           0.000409332   -0.000518113    0.004255653
     41        6           0.000240159   -0.000599251   -0.000542732
     42        6          -0.000379255    0.000534235   -0.000451017
     43        6           0.000458706   -0.000449265    0.001704543
     44        6           0.001165371   -0.000406448   -0.000234727
     45        6           0.000401346   -0.000120655    0.000503375
     46        6          -0.000608112    0.000269148   -0.001357769
     47        1          -0.000293397    0.000481848    0.000101306
     48        1          -0.000075443    0.000497509   -0.000345734
     49        1          -0.000398699   -0.000611294    0.001246572
     50        1          -0.000327130   -0.000133909    0.000684207
     51        1           0.000493499    0.000776624    0.000536674
     52        1          -0.000084681   -0.000448025    0.000676643
     53        1           0.000064264   -0.001029591   -0.000615917
     54        1          -0.000802130    0.000604623   -0.000027491
     55        1           0.000627824    0.000223777   -0.000378348
     56        1           0.000026864   -0.000310458   -0.000482508
     57        1          -0.000309664    0.000372111    0.000374008
     58        1          -0.000522720   -0.000661020   -0.000270704
     59        1          -0.000139220   -0.000229496    0.000967400
     60        1           0.000062330   -0.000506398   -0.000622889
     61        1           0.000327594   -0.000084827    0.000600267
     62        1          -0.000551041    0.000100861    0.000599935
     63        1           0.000045320    0.000585068   -0.000239988
     64        1          -0.000329198    0.000002406    0.000377036
     65        1          -0.000524417   -0.000338517   -0.000352998
     66        1           0.000172101    0.000309431   -0.000391767
     67        1           0.000388736   -0.000509001    0.000022883
     68        1          -0.000509900   -0.000008143    0.000211059
     69        1           0.000702532   -0.000692852   -0.000662552
     70        1           0.000397246    0.000179630    0.000468506
     71        1          -0.000132974   -0.000733076    0.000046850
     72        1          -0.000227560    0.000381576    0.000663040
     73        1           0.000357114    0.000435384    0.000678990
     74        1          -0.000125223   -0.000279332   -0.000025727
     75        1           0.000351256    0.000076671    0.000141908
     76        1          -0.000244454    0.000085789   -0.000116544
     77        1           0.000047338    0.000157148    0.000250252
     78        1          -0.000946812   -0.000247581    0.000454231
     79        1          -0.000310085   -0.000490858    0.000747822
     80        1          -0.000265978    0.000001645   -0.000085509
     81        1           0.000133212    0.000262639    0.000044423
     82        1          -0.000165308    0.000255640   -0.000068819
     83        1          -0.000129014   -0.000197915   -0.000157065
     84        1           0.000230160   -0.000105374    0.000150944
     85        1           0.000062980   -0.000296784    0.000003127
     86        1           0.000007940   -0.000042885    0.000128412
     87        1           0.000305344    0.000014068   -0.000106207
     88        1           0.000329059   -0.000236091    0.000171398
     89        1          -0.000565606   -0.000131649   -0.000640116
     90        1          -0.000469174    0.000314865   -0.000461746
     91        1           0.000477909    0.000048289   -0.000179299
     92        1          -0.000072301    0.000717185   -0.000052951
     93        1          -0.000168897   -0.000535814   -0.000315051
     94        1           0.000316618   -0.000002117    0.000030112
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004255653 RMS     0.000805854

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004213919 RMS     0.000589606
 Search for a local minimum.
 Step number   7 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    6    7
 DE= -2.29D-03 DEPred=-2.27D-03 R= 1.01D+00
 SS=  1.41D+00  RLast= 5.83D-01 DXNew= 1.4270D+00 1.7500D+00
 Trust test= 1.01D+00 RLast= 5.83D-01 DXMaxT set to 1.43D+00
     Eigenvalues ---    0.00126   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00231   0.00238   0.00242   0.00260   0.00327
     Eigenvalues ---    0.00420   0.00430   0.00474   0.00483   0.00557
     Eigenvalues ---    0.00579   0.00664   0.00774   0.00817   0.00919
     Eigenvalues ---    0.01129   0.01324   0.01364   0.01383   0.01401
     Eigenvalues ---    0.01415   0.01435   0.01443   0.01454   0.01516
     Eigenvalues ---    0.01544   0.01587   0.02009   0.02072   0.02082
     Eigenvalues ---    0.02100   0.02118   0.02128   0.02144   0.02150
     Eigenvalues ---    0.02151   0.02154   0.02155   0.02162   0.02169
     Eigenvalues ---    0.02172   0.02173   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02182   0.02187   0.02188
     Eigenvalues ---    0.02188   0.02368   0.02428   0.02504   0.03188
     Eigenvalues ---    0.03369   0.03558   0.03566   0.03729   0.03859
     Eigenvalues ---    0.03921   0.04044   0.04209   0.04458   0.04515
     Eigenvalues ---    0.04561   0.04728   0.04817   0.04871   0.04927
     Eigenvalues ---    0.04988   0.05117   0.05188   0.05387   0.05391
     Eigenvalues ---    0.05430   0.05497   0.05593   0.05609   0.05626
     Eigenvalues ---    0.05696   0.05735   0.06024   0.06452   0.06742
     Eigenvalues ---    0.07103   0.07119   0.07202   0.07316   0.07378
     Eigenvalues ---    0.07518   0.07760   0.07855   0.08809   0.09154
     Eigenvalues ---    0.09305   0.09372   0.09394   0.10787   0.11521
     Eigenvalues ---    0.12139   0.12494   0.12744   0.12902   0.13982
     Eigenvalues ---    0.15751   0.15940   0.15974   0.15978   0.15994
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16004   0.16006   0.16035   0.16082   0.16279
     Eigenvalues ---    0.16490   0.16531   0.16799   0.17214   0.17543
     Eigenvalues ---    0.18421   0.19031   0.19195   0.19401   0.19635
     Eigenvalues ---    0.20135   0.21700   0.21917   0.21984   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22001   0.22060   0.22094
     Eigenvalues ---    0.22451   0.22947   0.23392   0.23477   0.23514
     Eigenvalues ---    0.23848   0.24602   0.24862   0.24954   0.24966
     Eigenvalues ---    0.24973   0.24983   0.24991   0.24999   0.25007
     Eigenvalues ---    0.25105   0.25203   0.25635   0.26668   0.26909
     Eigenvalues ---    0.27128   0.27466   0.27880   0.28197   0.28261
     Eigenvalues ---    0.28397   0.28657   0.28756   0.29818   0.29892
     Eigenvalues ---    0.30145   0.30673   0.31656   0.32305   0.32646
     Eigenvalues ---    0.34145   0.34440   0.34485   0.34545   0.34592
     Eigenvalues ---    0.34618   0.34645   0.34684   0.34695   0.34703
     Eigenvalues ---    0.34712   0.34728   0.34736   0.34740   0.34747
     Eigenvalues ---    0.34750   0.34758   0.34766   0.34780   0.34787
     Eigenvalues ---    0.34791   0.34799   0.34812   0.34817   0.34831
     Eigenvalues ---    0.34834   0.34839   0.34851   0.34875   0.34886
     Eigenvalues ---    0.34982   0.35770   0.35841   0.35894   0.35901
     Eigenvalues ---    0.35922   0.35945   0.35969   0.35983   0.35991
     Eigenvalues ---    0.35999   0.36004   0.36025   0.36033   0.36051
     Eigenvalues ---    0.36083   0.37363   0.39130   0.40665   0.41563
     Eigenvalues ---    0.42186   0.42253   0.42313   0.42359   0.42972
     Eigenvalues ---    0.44419   0.45387   0.45698   0.45954   0.46018
     Eigenvalues ---    0.46068   0.46108   0.46137   0.46207   0.46348
     Eigenvalues ---    0.46418   0.46762   0.46764   0.46918   0.47147
     Eigenvalues ---    0.47164   0.48253   0.49709   0.53003   0.55467
     Eigenvalues ---    0.56253   0.58455   0.89777   0.90400   0.91987
     Eigenvalues ---    0.968881000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     7    6
 RFO step:  Lambda=-6.10954894D-04.
 DIIS coeffs:      1.38504     -0.38504
 Maximum step size (   1.427) exceeded in Quadratic search.
    -- Step size scaled by   0.588
 Iteration  1 RMS(Cart)=  0.48129020 RMS(Int)=  0.02790117
 Iteration  2 RMS(Cart)=  0.22062740 RMS(Int)=  0.00370689
 Iteration  3 RMS(Cart)=  0.01304983 RMS(Int)=  0.00016660
 Iteration  4 RMS(Cart)=  0.00003368 RMS(Int)=  0.00016634
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00016634
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.67935   0.00371  -0.00059   0.00429   0.00370   2.68306
    R2        1.81990   0.00048   0.00038   0.00257   0.00295   1.82286
    R3        2.35644  -0.00003   0.00012   0.00088   0.00100   2.35744
    R4        2.37917  -0.00027   0.00033   0.00191   0.00224   2.38141
    R5        2.36313  -0.00207   0.00012  -0.00066  -0.00054   2.36259
    R6        2.70348   0.00124  -0.00029   0.00148   0.00120   2.70468
    R7        2.62956   0.00235  -0.00129  -0.00095  -0.00224   2.62732
    R8        2.73290  -0.00182   0.00092  -0.00123  -0.00031   2.73259
    R9        2.73042  -0.00092  -0.00061  -0.00680  -0.00711   2.72331
   R10        2.65809  -0.00037  -0.00058  -0.00276  -0.00321   2.65488
   R11        2.72824   0.00120  -0.00022   0.00073   0.00051   2.72875
   R12        2.59847  -0.00051   0.00011   0.00057   0.00068   2.59914
   R13        1.87801   0.00004   0.00008  -0.00032  -0.00024   1.87777
   R14        2.72651  -0.00061  -0.00012  -0.00209  -0.00220   2.72431
   R15        2.59190  -0.00029   0.00104   0.00436   0.00540   2.59730
   R16        1.88116  -0.00031   0.00060   0.00092   0.00152   1.88268
   R17        2.63317  -0.00067  -0.00023  -0.00106  -0.00148   2.63169
   R18        2.71024  -0.00037  -0.00111  -0.00654  -0.00795   2.70228
   R19        1.87288  -0.00017   0.00021  -0.00016   0.00005   1.87294
   R20        2.90456   0.00222  -0.00106   0.00017  -0.00089   2.90367
   R21        2.90870   0.00109  -0.00040   0.00136   0.00096   2.90966
   R22        2.14835   0.00022  -0.00035   0.00050   0.00015   2.14850
   R23        2.91848   0.00031   0.00043   0.00282   0.00325   2.92173
   R24        2.93723   0.00093  -0.00091  -0.00140  -0.00231   2.93492
   R25        2.14309   0.00059  -0.00056   0.00038  -0.00018   2.14291
   R26        2.86844   0.00421  -0.00229   0.00000  -0.00229   2.86614
   R27        2.12149   0.00144  -0.00051   0.00203   0.00153   2.12302
   R28        2.12218  -0.00026  -0.00070  -0.00263  -0.00333   2.11884
   R29        2.95032   0.00129  -0.00088   0.00150   0.00062   2.95094
   R30        2.13149   0.00023  -0.00077  -0.00181  -0.00257   2.12891
   R31        2.86300   0.00151  -0.00066   0.00076   0.00010   2.86311
   R32        2.86336  -0.00158   0.00039  -0.00325  -0.00287   2.86049
   R33        2.12655   0.00074  -0.00084  -0.00076  -0.00159   2.12495
   R34        2.90621   0.00223  -0.00091   0.00292   0.00200   2.90822
   R35        2.13864   0.00073  -0.00077  -0.00039  -0.00116   2.13748
   R36        2.81105   0.00009  -0.00009  -0.00116  -0.00125   2.80980
   R37        2.11940   0.00072  -0.00065  -0.00017  -0.00082   2.11858
   R38        2.12054   0.00052  -0.00041   0.00051   0.00010   2.12064
   R39        2.88845  -0.00047  -0.00028  -0.00303  -0.00317   2.88527
   R40        2.13316   0.00054  -0.00063  -0.00016  -0.00079   2.13237
   R41        2.13170   0.00087  -0.00015   0.00273   0.00258   2.13428
   R42        2.88982  -0.00036  -0.00043  -0.00249  -0.00300   2.88681
   R43        2.11040   0.00091  -0.00019   0.00212   0.00192   2.11232
   R44        2.11818   0.00080  -0.00044   0.00090   0.00046   2.11864
   R45        2.80973  -0.00034   0.00013  -0.00145  -0.00132   2.80841
   R46        2.12083   0.00060  -0.00080  -0.00100  -0.00180   2.11903
   R47        2.12254   0.00058  -0.00026   0.00127   0.00100   2.12354
   R48        2.10870   0.00061  -0.00033   0.00082   0.00049   2.10918
   R49        2.10923   0.00049  -0.00032   0.00055   0.00022   2.10946
   R50        2.10989   0.00063  -0.00043   0.00047   0.00005   2.10994
   R51        2.10934   0.00049  -0.00028   0.00077   0.00049   2.10983
   R52        2.10772   0.00046  -0.00032   0.00052   0.00019   2.10791
   R53        2.11008   0.00051  -0.00025   0.00102   0.00077   2.11084
   R54        2.12520   0.00098  -0.00008   0.00309   0.00301   2.12821
   R55        2.13485   0.00048  -0.00012   0.00196   0.00183   2.13668
   R56        2.64536   0.00011   0.00001   0.00037   0.00038   2.64574
   R57        2.64521   0.00021  -0.00004   0.00034   0.00030   2.64551
   R58        2.64657   0.00001   0.00003   0.00030   0.00033   2.64690
   R59        2.64517  -0.00005  -0.00001  -0.00005  -0.00006   2.64511
   R60        2.89139  -0.00163   0.00282   0.00761   0.01043   2.90182
   R61        2.63399  -0.00016  -0.00003  -0.00049  -0.00052   2.63347
   R62        2.07831   0.00031  -0.00015   0.00070   0.00055   2.07886
   R63        2.63463  -0.00010   0.00003  -0.00006  -0.00003   2.63460
   R64        2.07898   0.00038  -0.00013   0.00097   0.00084   2.07982
   R65        2.63353  -0.00018  -0.00003  -0.00050  -0.00054   2.63299
   R66        2.07847   0.00028  -0.00012   0.00078   0.00067   2.07914
   R67        2.63477  -0.00012   0.00004  -0.00005  -0.00001   2.63475
   R68        2.07856   0.00028  -0.00007   0.00097   0.00090   2.07947
   R69        2.12565  -0.00068   0.00022   0.00009   0.00031   2.12596
   R70        2.11551   0.00041  -0.00073  -0.00124  -0.00197   2.11354
   R71        2.63634  -0.00021   0.00013   0.00019   0.00032   2.63667
   R72        2.07776   0.00028  -0.00018   0.00051   0.00034   2.07809
   R73        2.63602  -0.00025   0.00009  -0.00015  -0.00006   2.63595
   R74        2.07795   0.00030  -0.00018   0.00058   0.00040   2.07835
   R75        2.07713   0.00031  -0.00026   0.00019  -0.00008   2.07706
   R76        2.63655  -0.00024   0.00012   0.00006   0.00019   2.63674
   R77        2.07762   0.00028  -0.00016   0.00059   0.00043   2.07805
   R78        2.63548  -0.00031   0.00010  -0.00018  -0.00008   2.63541
   R79        2.07726   0.00029  -0.00016   0.00062   0.00046   2.07772
   R80        2.07676   0.00030  -0.00025   0.00019  -0.00006   2.07670
   R81        2.65422   0.00273   0.00010   0.00606   0.00616   2.66037
   R82        2.65798   0.00135  -0.00136  -0.00380  -0.00516   2.65282
   R83        2.64475  -0.00078  -0.00005  -0.00126  -0.00131   2.64344
   R84        2.80004  -0.00115   0.00012  -0.00457  -0.00445   2.79559
   R85        2.64238   0.00075   0.00010   0.00182   0.00192   2.64430
   R86        2.79806   0.00000  -0.00066  -0.00413  -0.00479   2.79327
   R87        2.63169  -0.00008   0.00019   0.00039   0.00058   2.63228
   R88        2.07893   0.00013  -0.00020   0.00018  -0.00002   2.07892
   R89        2.63523  -0.00127   0.00068   0.00030   0.00098   2.63621
   R90        2.07867   0.00030  -0.00020   0.00055   0.00036   2.07903
   R91        2.11111   0.00028  -0.00031   0.00014  -0.00017   2.11093
   R92        2.11488   0.00055  -0.00019   0.00150   0.00132   2.11620
   R93        2.11334   0.00056  -0.00034   0.00083   0.00049   2.11383
   R94        2.11077   0.00051  -0.00031   0.00073   0.00042   2.11119
   R95        2.11304   0.00062  -0.00038   0.00071   0.00033   2.11337
   R96        2.11406   0.00063  -0.00030   0.00107   0.00077   2.11482
   R97        2.07789   0.00029  -0.00020   0.00045   0.00025   2.07813
    A1        1.87399   0.00134  -0.00206  -0.00307  -0.00513   1.86886
    A2        1.98936   0.00185   0.00095   0.00643   0.00738   1.99674
    A3        2.08019  -0.00011  -0.00002   0.00060   0.00002   2.08021
    A4        2.08260  -0.00022   0.00009   0.00096   0.00049   2.08309
    A5        2.11577   0.00037   0.00072   0.00405   0.00365   2.11941
    A6        2.13600   0.00021   0.00008  -0.00041  -0.00089   2.13512
    A7        2.05774   0.00005  -0.00011   0.00040  -0.00028   2.05747
    A8        2.08811  -0.00027  -0.00025  -0.00232  -0.00313   2.08498
    A9        2.15166  -0.00117   0.00001  -0.00687  -0.00729   2.14437
   A10        2.04432   0.00057   0.00033   0.00384   0.00373   2.04805
   A11        2.08497   0.00058  -0.00061   0.00003  -0.00100   2.08397
   A12        2.13288  -0.00024   0.00202   0.00877   0.00918   2.14206
   A13        2.04589   0.00020  -0.00084  -0.00319  -0.00370   2.04219
   A14        2.09683   0.00008  -0.00052  -0.00104  -0.00121   2.09562
   A15        1.99131  -0.00002  -0.00376  -0.01646  -0.02021   1.97110
   A16        1.95444   0.00013  -0.00096  -0.00257  -0.00361   1.95083
   A17        1.86808   0.00002   0.00306   0.01407   0.01719   1.88527
   A18        1.92746  -0.00003   0.00120   0.00433   0.00539   1.93285
   A19        1.83645   0.00011   0.00078   0.00391   0.00476   1.84122
   A20        1.87767  -0.00022   0.00011  -0.00168  -0.00160   1.87606
   A21        2.01625  -0.00074   0.00098   0.00126   0.00225   2.01850
   A22        1.88572  -0.00118   0.00032  -0.00466  -0.00435   1.88136
   A23        1.88413   0.00024   0.00023  -0.00450  -0.00429   1.87984
   A24        1.89619   0.00198  -0.00092   0.00574   0.00482   1.90101
   A25        1.86654  -0.00015   0.00031   0.00369   0.00400   1.87054
   A26        1.91368  -0.00014  -0.00102  -0.00168  -0.00273   1.91095
   A27        2.03029   0.00003  -0.00511  -0.02346  -0.02882   2.00147
   A28        1.88321   0.00068  -0.00037   0.00267   0.00149   1.88469
   A29        1.86149  -0.00075   0.00275   0.00708   0.01009   1.87158
   A30        1.90080  -0.00056  -0.00294  -0.01546  -0.01882   1.88198
   A31        1.89454   0.00080   0.00466   0.02621   0.03115   1.92569
   A32        1.88914  -0.00022   0.00165   0.00502   0.00679   1.89593
   A33        1.96515   0.00010  -0.00512  -0.02286  -0.02799   1.93716
   A34        1.85711  -0.00051   0.00106   0.00175   0.00255   1.85966
   A35        1.90827   0.00002  -0.00034  -0.00222  -0.00247   1.90581
   A36        1.92545   0.00039  -0.00082  -0.00242  -0.00344   1.92201
   A37        1.91486   0.00007   0.00308   0.01582   0.01883   1.93369
   A38        1.89091  -0.00009   0.00240   0.01058   0.01287   1.90379
   A39        1.90678   0.00107  -0.00224  -0.00462  -0.00686   1.89992
   A40        1.94034  -0.00101   0.00197   0.00234   0.00430   1.94464
   A41        1.89235   0.00011  -0.00133  -0.00398  -0.00533   1.88702
   A42        1.91654  -0.00015   0.00012  -0.00031  -0.00018   1.91635
   A43        1.89397  -0.00009  -0.00018   0.00329   0.00306   1.89704
   A44        1.91312   0.00008   0.00161   0.00327   0.00489   1.91800
   A45        1.93623   0.00013   0.00218   0.01173   0.01389   1.95012
   A46        1.97867   0.00002  -0.00091  -0.00126  -0.00212   1.97655
   A47        1.88201  -0.00017   0.00107   0.00055   0.00159   1.88360
   A48        1.90280   0.00000  -0.00206  -0.00881  -0.01087   1.89193
   A49        1.86447   0.00009  -0.00023  -0.00030  -0.00059   1.86388
   A50        1.89569  -0.00007   0.00000  -0.00197  -0.00200   1.89369
   A51        1.95868  -0.00053  -0.00055  -0.00441  -0.00496   1.95371
   A52        1.92337   0.00043  -0.00004   0.00255   0.00251   1.92588
   A53        1.87370   0.00018  -0.00008  -0.00088  -0.00096   1.87274
   A54        1.91362   0.00005  -0.00016   0.00016   0.00000   1.91362
   A55        1.91587   0.00008   0.00022   0.00056   0.00077   1.91664
   A56        1.87645  -0.00019   0.00068   0.00229   0.00296   1.87941
   A57        2.13382  -0.00044   0.00041  -0.00132  -0.00160   2.13222
   A58        2.12167   0.00125   0.00015   0.00457   0.00400   2.12568
   A59        2.02699  -0.00085  -0.00053  -0.00573  -0.00697   2.02002
   A60        1.97071  -0.00033   0.00113   0.00459   0.00544   1.97615
   A61        1.90743  -0.00015   0.00093   0.00303   0.00398   1.91141
   A62        1.88718   0.00020  -0.00060  -0.00291  -0.00339   1.88379
   A63        1.89971   0.00038   0.00004   0.00234   0.00238   1.90210
   A64        1.91362  -0.00005  -0.00081  -0.00473  -0.00543   1.90820
   A65        1.88326  -0.00003  -0.00077  -0.00265  -0.00345   1.87981
   A66        1.91163   0.00015   0.00282   0.01562   0.01785   1.92948
   A67        1.90793  -0.00011  -0.00130  -0.00746  -0.00842   1.89951
   A68        1.91978  -0.00014  -0.00004  -0.00183  -0.00186   1.91792
   A69        1.91228  -0.00003  -0.00214  -0.01026  -0.01215   1.90013
   A70        1.92370  -0.00001   0.00008  -0.00006   0.00011   1.92381
   A71        1.88831   0.00012   0.00051   0.00363   0.00403   1.89234
   A72        1.98657  -0.00045  -0.00125  -0.00647  -0.00772   1.97884
   A73        1.89966   0.00049   0.00022   0.00514   0.00539   1.90505
   A74        1.86841   0.00016  -0.00126  -0.00706  -0.00832   1.86009
   A75        1.92608  -0.00001   0.00069   0.00425   0.00493   1.93102
   A76        1.90095   0.00005   0.00136   0.00415   0.00545   1.90639
   A77        1.87843  -0.00022   0.00026  -0.00006   0.00019   1.87862
   A78        2.11331  -0.00033   0.00000  -0.00256  -0.00212   2.11119
   A79        2.08455   0.00025  -0.00029  -0.00007   0.00007   2.08462
   A80        2.08401   0.00008   0.00033   0.00295   0.00239   2.08640
   A81        1.93486  -0.00006  -0.00001  -0.00028  -0.00029   1.93457
   A82        1.91653  -0.00020   0.00036  -0.00034   0.00002   1.91655
   A83        1.92801   0.00054  -0.00071  -0.00057  -0.00128   1.92672
   A84        1.89168   0.00003   0.00001  -0.00045  -0.00044   1.89125
   A85        1.89943  -0.00011   0.00000   0.00081   0.00081   1.90024
   A86        1.89241  -0.00020   0.00037   0.00087   0.00124   1.89365
   A87        1.93069  -0.00007   0.00000  -0.00036  -0.00036   1.93033
   A88        1.94433  -0.00061   0.00102   0.00102   0.00204   1.94637
   A89        1.91627  -0.00013   0.00005  -0.00048  -0.00043   1.91584
   A90        1.89296   0.00029  -0.00015   0.00043   0.00028   1.89323
   A91        1.89168   0.00019  -0.00047  -0.00035  -0.00083   1.89086
   A92        1.88655   0.00036  -0.00050  -0.00028  -0.00078   1.88577
   A93        1.95312   0.00015   0.00171   0.01219   0.01262   1.96574
   A94        1.89936  -0.00009  -0.00047  -0.00457  -0.00452   1.89484
   A95        1.91420  -0.00005   0.00046   0.00235   0.00300   1.91719
   A96        1.92067  -0.00006  -0.00127  -0.00872  -0.00963   1.91104
   A97        1.89631  -0.00005   0.00047   0.00203   0.00276   1.89907
   A98        1.87875   0.00010  -0.00099  -0.00384  -0.00500   1.87375
   A99        2.09893  -0.00002   0.00018   0.00085   0.00103   2.09995
   A100       2.10119   0.00010  -0.00012  -0.00005  -0.00017   2.10101
   A101       2.08304  -0.00008  -0.00005  -0.00079  -0.00084   2.08220
   A102       2.10017  -0.00010   0.00007  -0.00003   0.00004   2.10021
   A103       2.10195   0.00016   0.00000   0.00103   0.00103   2.10297
   A104       2.08075  -0.00006  -0.00006  -0.00092  -0.00099   2.07976
   A105       2.13739  -0.00025  -0.00058  -0.00463  -0.00537   2.13202
   A106       2.06467  -0.00102   0.00209   0.00391   0.00583   2.07050
   A107       2.07987   0.00133  -0.00178   0.00208   0.00014   2.08001
   A108       2.09937  -0.00003   0.00006   0.00042   0.00048   2.09986
   A109       2.08970   0.00000  -0.00021  -0.00127  -0.00148   2.08822
   A110       2.09412   0.00002   0.00015   0.00084   0.00099   2.09511
   A111       2.09918  -0.00008   0.00007   0.00029   0.00036   2.09954
   A112       2.09364   0.00009  -0.00023  -0.00082  -0.00105   2.09259
   A113       2.09034  -0.00001   0.00016   0.00054   0.00070   2.09105
   A114       2.10052  -0.00002   0.00009   0.00059   0.00067   2.10119
   A115       2.08832   0.00001  -0.00020  -0.00121  -0.00141   2.08691
   A116       2.09429   0.00002   0.00011   0.00062   0.00074   2.09503
   A117       2.10065  -0.00004   0.00004   0.00035   0.00039   2.10103
   A118       2.09035  -0.00001  -0.00020  -0.00128  -0.00148   2.08887
   A119       2.09218   0.00005   0.00016   0.00093   0.00109   2.09328
   A120       1.93207   0.00016  -0.00486  -0.01181  -0.01674   1.91534
   A121       1.87896   0.00040   0.00187   0.00685   0.00882   1.88778
   A122       1.95634   0.00011  -0.00021  -0.00176  -0.00216   1.95418
   A123       1.88659  -0.00019   0.00467   0.01468   0.01941   1.90600
   A124       1.89460  -0.00103  -0.00020  -0.00700  -0.00734   1.88725
   A125       1.91407   0.00056  -0.00101  -0.00011  -0.00111   1.91296
   A126       2.09652   0.00006   0.00000   0.00029   0.00028   2.09680
   A127       2.09179  -0.00001  -0.00002  -0.00015  -0.00017   2.09162
   A128       2.09488  -0.00005   0.00002  -0.00014  -0.00011   2.09477
   A129       2.09654   0.00007  -0.00002   0.00031   0.00030   2.09683
   A130       2.09129  -0.00004  -0.00005  -0.00048  -0.00053   2.09076
   A131       2.09536  -0.00003   0.00007   0.00016   0.00023   2.09559
   A132       2.09172   0.00005  -0.00006  -0.00052  -0.00058   2.09114
   A133       2.09581  -0.00003   0.00001   0.00009   0.00010   2.09591
   A134       2.09565  -0.00002   0.00006   0.00043   0.00048   2.09614
   A135       2.09677   0.00004  -0.00001   0.00025   0.00024   2.09701
   A136       2.09150   0.00001  -0.00002  -0.00014  -0.00016   2.09133
   A137       2.09492  -0.00005   0.00003  -0.00010  -0.00007   2.09484
   A138       2.09665   0.00006   0.00002   0.00042   0.00044   2.09709
   A139       2.09207  -0.00002  -0.00005  -0.00036  -0.00041   2.09166
   A140       2.09447  -0.00004   0.00003  -0.00006  -0.00003   2.09443
   A141       2.09103   0.00002  -0.00008  -0.00068  -0.00076   2.09028
   A142       2.09592  -0.00001   0.00003   0.00029   0.00032   2.09624
   A143       2.09623  -0.00001   0.00005   0.00038   0.00043   2.09667
   A144       2.04695  -0.00216  -0.00518  -0.02290  -0.02810   2.01885
   A145       2.11137   0.00311   0.00352   0.01810   0.02163   2.13300
   A146       2.12077  -0.00094   0.00175   0.00542   0.00714   2.12791
   A147       2.06918   0.00021  -0.00012  -0.00045  -0.00059   2.06860
   A148       2.10930  -0.00091  -0.00283  -0.01204  -0.01487   2.09442
   A149       2.10456   0.00070   0.00296   0.01261   0.01556   2.12012
   A150       2.06718  -0.00036  -0.00142  -0.00630  -0.00774   2.05944
   A151       2.11896   0.00121   0.00012   0.00250   0.00263   2.12158
   A152       2.09704  -0.00085   0.00131   0.00380   0.00512   2.10216
   A153       2.10411   0.00009  -0.00111  -0.00407  -0.00519   2.09892
   A154       2.08480  -0.00005   0.00031   0.00058   0.00088   2.08569
   A155       2.09427  -0.00004   0.00081   0.00350   0.00431   2.09858
   A156       2.10556   0.00056   0.00035   0.00268   0.00301   2.10858
   A157       2.08444  -0.00018  -0.00032  -0.00176  -0.00207   2.08237
   A158       2.09317  -0.00038  -0.00003  -0.00091  -0.00094   2.09223
   A159       1.94054  -0.00015   0.00037   0.00107   0.00144   1.94198
   A160       1.92374  -0.00034   0.00055   0.00025   0.00079   1.92453
   A161       1.92448  -0.00012  -0.00027  -0.00195  -0.00223   1.92225
   A162       1.89100   0.00041   0.00039   0.00396   0.00434   1.89534
   A163       1.89157   0.00044   0.00068   0.00566   0.00634   1.89791
   A164       1.89132  -0.00022  -0.00178  -0.00908  -0.01088   1.88044
   A165       1.93717  -0.00017   0.00034   0.00045   0.00079   1.93796
   A166       1.92738   0.00009  -0.00003   0.00019   0.00016   1.92754
   A167       1.92296   0.00002   0.00016   0.00096   0.00112   1.92408
   A168       1.89408  -0.00009   0.00014   0.00008   0.00022   1.89430
   A169       1.89010  -0.00001  -0.00008  -0.00061  -0.00069   1.88941
   A170       1.89099   0.00018  -0.00055  -0.00113  -0.00168   1.88931
   A171       2.09906   0.00046   0.00062   0.00308   0.00369   2.10275
   A172       2.09219  -0.00014  -0.00027  -0.00090  -0.00117   2.09102
   A173       2.09193  -0.00032  -0.00034  -0.00216  -0.00251   2.08942
    D1       -1.04031  -0.00002  -0.00242  -0.01285  -0.01531  -1.05562
    D2        3.13152  -0.00023   0.00098   0.00254   0.00345   3.13497
    D3        1.09291   0.00014  -0.00223  -0.00971  -0.01183   1.08107
    D4        2.53340  -0.00131   0.01026   0.00535   0.01567   2.54908
    D5       -1.69118  -0.00121   0.01432   0.02054   0.03485  -1.65633
    D6        0.41525  -0.00018   0.01417   0.02386   0.03798   0.45323
    D7       -2.07218   0.00094  -0.01057  -0.02862  -0.03923  -2.11140
    D8        1.16520   0.00089  -0.01178  -0.03602  -0.04777   1.11743
    D9        0.83589   0.00073   0.00475   0.03270   0.03738   0.87328
   D10       -1.29128  -0.00044   0.00503   0.02795   0.03292  -1.25836
   D11        2.92360   0.00024   0.00593   0.03495   0.04081   2.96441
   D12       -2.20372   0.00032  -0.00284  -0.02915  -0.03193  -2.23565
   D13        1.95229  -0.00086  -0.00256  -0.03390  -0.03639   1.91590
   D14       -0.11601  -0.00017  -0.00165  -0.02691  -0.02850  -0.14452
   D15        2.75920  -0.00029  -0.00080  -0.02713  -0.02788   2.73132
   D16       -1.40696  -0.00014   0.00066  -0.01894  -0.01830  -1.42527
   D17        0.63875  -0.00015  -0.00009  -0.02208  -0.02216   0.61660
   D18       -0.48637   0.00009   0.00689   0.03575   0.04273  -0.44364
   D19        1.63065   0.00024   0.00834   0.04393   0.05230   1.68296
   D20       -2.60682   0.00023   0.00759   0.04080   0.04845  -2.55837
   D21       -0.06341   0.00010  -0.00122   0.00849   0.00739  -0.05602
   D22        3.13338   0.00011  -0.00208   0.00172  -0.00023   3.13315
   D23       -3.10088  -0.00029  -0.00890  -0.05445  -0.06331   3.11900
   D24        0.09590  -0.00028  -0.00977  -0.06122  -0.07092   0.02498
   D25       -1.25088   0.00019  -0.00127   0.01741   0.01623  -1.23465
   D26        2.82677   0.00014   0.00108   0.02732   0.02833   2.85510
   D27        0.77306   0.00032  -0.00040   0.02212   0.02166   0.79472
   D28        1.94628   0.00031   0.00862   0.06635   0.07508   2.02136
   D29       -0.25925   0.00026   0.01097   0.07626   0.08718  -0.17207
   D30       -2.31296   0.00045   0.00949   0.07106   0.08051  -2.23245
   D31        0.06796   0.00030   0.00922   0.07253   0.08162   0.14958
   D32       -3.11346  -0.00067   0.01009   0.00297   0.01310  -3.10036
   D33       -3.13014   0.00018  -0.00084   0.02285   0.02196  -3.10818
   D34       -0.02838  -0.00078   0.00003  -0.04672  -0.04656  -0.07493
   D35       -2.10148   0.00066   0.02108   0.14552   0.16661  -1.93487
   D36        2.03391   0.00055   0.02279   0.14908   0.17189   2.20580
   D37       -0.06543   0.00074   0.02262   0.15196   0.17462   0.10920
   D38        0.96769   0.00026   0.01596   0.09712   0.11304   1.08073
   D39       -1.18010   0.00014   0.01767   0.10067   0.11832  -1.06178
   D40        3.00375   0.00034   0.01750   0.10356   0.12106   3.12480
   D41        0.01412  -0.00001  -0.00736  -0.01335  -0.02066  -0.00654
   D42       -3.07284  -0.00117   0.00699  -0.04301  -0.03597  -3.10881
   D43       -3.05345   0.00040  -0.00215   0.03599   0.03378  -3.01966
   D44        0.14278  -0.00076   0.01220   0.00633   0.01847   0.16125
   D45        3.06227   0.00063   0.01179   0.08078   0.09265  -3.12826
   D46       -0.13359   0.00060   0.01265   0.08736   0.10008  -0.03351
   D47        0.05267   0.00031   0.00658   0.04155   0.04821   0.10088
   D48        3.13999   0.00028   0.00744   0.04813   0.05564  -3.08755
   D49        0.55242  -0.00055  -0.01223  -0.08319  -0.09546   0.45696
   D50        2.67878  -0.00059  -0.01303  -0.08937  -0.10251   2.57626
   D51       -1.55336  -0.00056  -0.01424  -0.09531  -0.10945  -1.66281
   D52       -2.72491  -0.00022  -0.00690  -0.04298  -0.04986  -2.77477
   D53       -0.59856  -0.00026  -0.00769  -0.04916  -0.05691  -0.65547
   D54        1.45249  -0.00022  -0.00890  -0.05510  -0.06385   1.38864
   D55       -1.10762   0.00056   0.01221   0.17984   0.19201  -0.91562
   D56        1.03332   0.00038   0.00425   0.14514   0.14940   1.18272
   D57        3.05966   0.00008   0.00736   0.15586   0.16323  -3.06030
   D58        1.11192   0.00070   0.00886   0.16672   0.17554   1.28746
   D59       -3.03032   0.00052   0.00090   0.13202   0.13294  -2.89739
   D60       -1.00399   0.00022   0.00401   0.14274   0.14677  -0.85722
   D61        3.13327   0.00049   0.00998   0.16897   0.17891  -2.97100
   D62       -1.00897   0.00030   0.00202   0.13427   0.13631  -0.87266
   D63        1.01737   0.00000   0.00512   0.14499   0.15014   1.16751
   D64       -1.03913  -0.00007  -0.00714  -0.04750  -0.05465  -1.09378
   D65        1.09885  -0.00007  -0.00776  -0.04853  -0.05631   1.04254
   D66        3.13745   0.00004  -0.00702  -0.04494  -0.05197   3.08548
   D67        3.00426  -0.00012  -0.00229  -0.02692  -0.02919   2.97507
   D68       -1.14094  -0.00011  -0.00291  -0.02795  -0.03084  -1.17178
   D69        0.89766  -0.00001  -0.00217  -0.02436  -0.02651   0.87115
   D70        1.00884  -0.00011  -0.00389  -0.03286  -0.03675   0.97209
   D71       -3.13636  -0.00011  -0.00451  -0.03389  -0.03840   3.10842
   D72       -1.09776   0.00000  -0.00377  -0.03029  -0.03407  -1.13183
   D73       -3.12378  -0.00046   0.00047  -0.11259  -0.11213   3.04727
   D74        1.04150  -0.00035   0.00054  -0.11062  -0.11009   0.93141
   D75       -1.06269   0.00010  -0.00181  -0.11353  -0.11532  -1.17800
   D76       -1.00223  -0.00099   0.00087  -0.11340  -0.11255  -1.11478
   D77       -3.12013  -0.00088   0.00093  -0.11144  -0.11051   3.05254
   D78        1.05887  -0.00043  -0.00141  -0.11434  -0.11573   0.94313
   D79        1.06207  -0.00020  -0.00065  -0.11034  -0.11101   0.95107
   D80       -1.05583  -0.00008  -0.00059  -0.10838  -0.10896  -1.16479
   D81        3.12317   0.00036  -0.00293  -0.11128  -0.11419   3.00898
   D82        1.57567  -0.00005   0.01544   0.16468   0.18008   1.75575
   D83       -1.52640   0.00095   0.01457   0.23387   0.24846  -1.27794
   D84       -0.62391   0.00036   0.01461   0.16245   0.17703  -0.44688
   D85        2.55722   0.00135   0.01374   0.23163   0.24541   2.80262
   D86       -2.65816  -0.00051   0.01533   0.15570   0.17101  -2.48715
   D87        0.52296   0.00049   0.01446   0.22489   0.23939   0.76235
   D88        1.45362   0.00103   0.02258   0.27118   0.29390   1.74752
   D89       -2.75777   0.00072   0.01995   0.25689   0.27714  -2.48064
   D90       -0.67587   0.00089   0.02429   0.27833   0.30296  -0.37291
   D91       -0.67810   0.00056   0.02935   0.29679   0.32578  -0.35232
   D92        1.39369   0.00025   0.02672   0.28249   0.30902   1.70271
   D93       -2.80759   0.00042   0.03106   0.30394   0.33484  -2.47275
   D94       -2.73131   0.00068   0.02637   0.28468   0.31090  -2.42040
   D95       -0.65951   0.00037   0.02374   0.27038   0.29414  -0.36537
   D96        1.42239   0.00054   0.02808   0.29183   0.31997   1.74235
   D97       -1.14142   0.00004  -0.00582  -0.02258  -0.02842  -1.16984
   D98        1.04952   0.00015  -0.00692  -0.02233  -0.02932   1.02020
   D99        3.09496   0.00012  -0.00813  -0.02937  -0.03754   3.05742
   D100       3.00514   0.00001   0.00026   0.00554   0.00584   3.01098
   D101      -1.08711   0.00012  -0.00085   0.00578   0.00494  -1.08217
   D102       0.95833   0.00009  -0.00205  -0.00126  -0.00328   0.95505
   D103       0.90875  -0.00025  -0.00448  -0.01892  -0.02336   0.88539
   D104       3.09970  -0.00014  -0.00559  -0.01867  -0.02427   3.07543
   D105      -1.13805  -0.00017  -0.00679  -0.02571  -0.03249  -1.17054
   D106      -0.99320   0.00031  -0.00617  -0.03020  -0.03638  -1.02958
   D107      -3.08300   0.00044  -0.00641  -0.02925  -0.03566  -3.11866
   D108       1.11380   0.00049  -0.00665  -0.02975  -0.03641   1.07739
   D109       1.13908  -0.00034  -0.00509  -0.03049  -0.03558   1.10350
   D110      -0.95072  -0.00021  -0.00534  -0.02953  -0.03487  -0.98559
   D111      -3.03711  -0.00016  -0.00558  -0.03003  -0.03561  -3.07272
   D112      -3.05328  -0.00038  -0.00318  -0.02470  -0.02786  -3.08115
   D113       1.14010  -0.00025  -0.00342  -0.02374  -0.02715   1.11295
   D114      -0.94629  -0.00020  -0.00366  -0.02424  -0.02789  -0.97418
   D115       0.99845   0.00024  -0.00375  -0.02466  -0.02842   0.97003
   D116      -1.10848   0.00033  -0.00425  -0.02564  -0.02990  -1.13838
   D117       3.08545   0.00035  -0.00431  -0.02563  -0.02994   3.05551
   D118      -1.11373  -0.00035  -0.00231  -0.02018  -0.02249  -1.13622
   D119       3.06252  -0.00026  -0.00280  -0.02116  -0.02396   3.03856
   D120       0.97327  -0.00024  -0.00287  -0.02114  -0.02401   0.94926
   D121       3.09034  -0.00020  -0.00313  -0.02601  -0.02914   3.06120
   D122       0.98341  -0.00012  -0.00363  -0.02700  -0.03061   0.95279
   D123      -1.10584  -0.00010  -0.00369  -0.02698  -0.03066  -1.13650
   D124      -0.87979  -0.00009  -0.00753  -0.09605  -0.10355  -0.98334
   D125       1.27630  -0.00006  -0.00734  -0.09118  -0.09852   1.17779
   D126      -2.98123   0.00002  -0.00759  -0.09239  -0.09999  -3.08123
   D127      -3.04589  -0.00027  -0.00815  -0.10374  -0.11187   3.12542
   D128      -0.88979  -0.00024  -0.00797  -0.09888  -0.10684  -0.99664
   D129       1.13585  -0.00016  -0.00821  -0.10008  -0.10832   1.02753
   D130       1.21176  -0.00035  -0.00675  -0.09752  -0.10426   1.10750
   D131      -2.91533  -0.00031  -0.00657  -0.09265  -0.09923  -3.01455
   D132      -0.88968  -0.00024  -0.00681  -0.09386  -0.10070  -0.99038
   D133      -1.46113   0.00017   0.00384   0.02921   0.03305  -1.42808
   D134       1.68846   0.00015   0.00381   0.02779   0.03159   1.72006
   D135       2.67856  -0.00004   0.00439   0.02886   0.03325   2.71181
   D136      -0.45504  -0.00007   0.00436   0.02744   0.03179  -0.42324
   D137       0.62094   0.00011   0.00354   0.02565   0.02918   0.65012
   D138      -2.51266   0.00009   0.00350   0.02423   0.02773  -2.48493
   D139       0.86783  -0.00010  -0.00593  -0.02969  -0.03571   0.83212
   D140       2.96320  -0.00011  -0.00761  -0.03728  -0.04497   2.91824
   D141      -1.24900  -0.00010  -0.00779  -0.03847  -0.04624  -1.29523
   D142      -1.25355   0.00005  -0.00788  -0.03822  -0.04613  -1.29968
   D143       0.84182   0.00004  -0.00956  -0.04581  -0.05538   0.78643
   D144       2.91280   0.00005  -0.00974  -0.04700  -0.05665   2.85615
   D145       2.97326  -0.00010  -0.00650  -0.03367  -0.04024   2.93303
   D146      -1.21455  -0.00011  -0.00818  -0.04126  -0.04949  -1.26404
   D147       0.85643  -0.00011  -0.00837  -0.04244  -0.05076   0.80567
   D148      -0.89463   0.00011   0.00852   0.05112   0.05982  -0.83481
   D149      -3.00870   0.00017   0.00884   0.05478   0.06383  -2.94487
   D150       1.22152   0.00011   0.01049   0.06322   0.07372   1.29524
   D151      -2.98733   0.00017   0.00968   0.05697   0.06679  -2.92054
   D152       1.18178   0.00022   0.00999   0.06063   0.07080   1.25258
   D153      -0.87118   0.00017   0.01164   0.06907   0.08069  -0.79049
   D154       1.21983   0.00004   0.01032   0.05888   0.06924   1.28908
   D155      -0.89424   0.00009   0.01064   0.06254   0.07326  -0.82099
   D156      -2.94720   0.00004   0.01229   0.07098   0.08314  -2.86406
   D157      -1.32390   0.00038   0.00530   0.07263   0.07794  -1.24596
   D158       1.84509   0.00032   0.00500   0.06939   0.07440   1.91948
   D159       2.81761   0.00007   0.00539   0.06733   0.07273   2.89034
   D160      -0.29659   0.00002   0.00508   0.06410   0.06919  -0.22740
   D161       0.75915   0.00032   0.00386   0.06243   0.06627   0.82542
   D162      -2.35505   0.00026   0.00356   0.05919   0.06272  -2.29232
   D163      -3.13544  -0.00001   0.00022   0.00032   0.00054  -3.13490
   D164       0.00665  -0.00002   0.00019   0.00006   0.00025   0.00690
   D165      -0.00176   0.00001   0.00026   0.00173   0.00198   0.00022
   D166       3.14032   0.00001   0.00023   0.00147   0.00170  -3.14116
   D167       3.13568   0.00001  -0.00005   0.00053   0.00049   3.13617
   D168       0.00140  -0.00001  -0.00030  -0.00146  -0.00176  -0.00035
   D169       0.00202  -0.00001  -0.00009  -0.00088  -0.00097   0.00105
   D170      -3.13226  -0.00004  -0.00034  -0.00287  -0.00321  -3.13547
   D171      -3.11647  -0.00007   0.00081   0.00097   0.00179  -3.11468
   D172       0.03593  -0.00007   0.00077   0.00089   0.00166   0.03759
   D173      -0.00194  -0.00001   0.00111   0.00420   0.00531   0.00337
   D174      -3.13273  -0.00001   0.00107   0.00412   0.00519  -3.12754
   D175       3.11496   0.00006  -0.00073  -0.00100  -0.00173   3.11323
   D176      -0.02325   0.00010  -0.00114  -0.00016  -0.00130  -0.02455
   D177       0.00046   0.00001  -0.00104  -0.00421  -0.00525  -0.00479
   D178      -3.13775   0.00004  -0.00145  -0.00337  -0.00482   3.14062
   D179       2.83042  -0.00061   0.01314  -0.08930  -0.07626   2.75416
   D180       0.77648  -0.00108   0.01078  -0.09967  -0.08886   0.68761
   D181      -1.29856  -0.00107   0.00950  -0.10391  -0.09434  -1.39290
   D182      -0.36352   0.00052  -0.00060  -0.06114  -0.06184  -0.42537
   D183      -2.41747   0.00005  -0.00296  -0.07152  -0.07444  -2.49191
   D184       1.79068   0.00006  -0.00424  -0.07575  -0.07992   1.71076
   D185       0.00024  -0.00001  -0.00019  -0.00113  -0.00132  -0.00108
   D186       3.14151  -0.00001  -0.00014  -0.00112  -0.00126   3.14025
   D187       3.14133   0.00000  -0.00016  -0.00087  -0.00103   3.14030
   D188      -0.00058  -0.00001  -0.00011  -0.00086  -0.00097  -0.00155
   D189      -0.00075   0.00000  -0.00015  -0.00056  -0.00072  -0.00146
   D190      -3.14134  -0.00001  -0.00029  -0.00156  -0.00186   3.13999
   D191       3.13355   0.00003   0.00010   0.00141   0.00152   3.13506
   D192      -0.00704   0.00002  -0.00004   0.00042   0.00038  -0.00667
   D193       0.00268   0.00000  -0.00035  -0.00132  -0.00167   0.00101
   D194      -3.13609  -0.00002  -0.00048  -0.00265  -0.00314  -3.13922
   D195       3.13343   0.00000  -0.00031  -0.00125  -0.00156   3.13187
   D196      -0.00534  -0.00001  -0.00044  -0.00259  -0.00303  -0.00837
   D197       0.00028   0.00001   0.00020   0.00135   0.00155   0.00183
   D198      -3.14061   0.00002   0.00015   0.00168   0.00183  -3.13879
   D199       3.13848  -0.00003   0.00061   0.00051   0.00111   3.13960
   D200      -0.00241  -0.00002   0.00055   0.00084   0.00139  -0.00102
   D201       0.00105   0.00000  -0.00005  -0.00032  -0.00038   0.00067
   D202       3.14153  -0.00001   0.00013   0.00036   0.00049  -3.14116
   D203      -3.14022   0.00000  -0.00010  -0.00034  -0.00044  -3.14066
   D204       0.00026   0.00000   0.00009   0.00035   0.00043   0.00069
   D205      -0.00080   0.00000   0.00022   0.00117   0.00139   0.00060
   D206      -3.14128   0.00001   0.00003   0.00049   0.00052  -3.14076
   D207       3.13979   0.00001   0.00036   0.00217   0.00254  -3.14086
   D208      -0.00069   0.00002   0.00018   0.00149   0.00166   0.00097
   D209      -0.00192   0.00002  -0.00051  -0.00158  -0.00209  -0.00401
   D210       3.14132  -0.00003  -0.00012  -0.00203  -0.00215   3.13918
   D211       3.13684   0.00003  -0.00037  -0.00025  -0.00062   3.13622
   D212      -0.00310  -0.00002   0.00002  -0.00069  -0.00068  -0.00378
   D213       0.00045  -0.00002   0.00058   0.00157   0.00215   0.00259
   D214       3.14039   0.00003   0.00019   0.00201   0.00221  -3.14059
   D215       3.14134  -0.00003   0.00063   0.00124   0.00187  -3.13997
   D216      -0.00191   0.00002   0.00024   0.00169   0.00193   0.00003
   D217      -3.07512  -0.00010   0.00051   0.00330   0.00398  -3.07115
   D218       0.04804   0.00014   0.00088   0.01169   0.01264   0.06068
   D219      -0.02986   0.00019   0.00184   0.01147   0.01334  -0.01652
   D220       3.09331   0.00043   0.00220   0.01986   0.02200   3.11531
   D221       3.07528  -0.00012  -0.00110  -0.00573  -0.00672   3.06856
   D222      -0.06371   0.00007  -0.00288  -0.00709  -0.00985  -0.07356
   D223       0.03355  -0.00011  -0.00197  -0.01193  -0.01393   0.01962
   D224      -3.10544   0.00007  -0.00374  -0.01329  -0.01706  -3.12250
   D225       0.00563  -0.00014  -0.00046  -0.00361  -0.00400   0.00162
   D226      -3.13802   0.00000   0.00000  -0.00003   0.00001  -3.13801
   D227      -3.11759  -0.00036  -0.00076  -0.01171  -0.01246  -3.13006
   D228       0.02194  -0.00022  -0.00030  -0.00813  -0.00845   0.01350
   D229      -2.88623  -0.00030  -0.00601  -0.04852  -0.05452  -2.94075
   D230       1.29966  -0.00049  -0.00711  -0.05435  -0.06145   1.23821
   D231      -0.78772   0.00007  -0.00508  -0.04201  -0.04709  -0.83481
   D232       0.23657  -0.00006  -0.00567  -0.04010  -0.04578   0.19079
   D233      -1.86073  -0.00025  -0.00677  -0.04594  -0.05271  -1.91344
   D234       2.33507   0.00031  -0.00474  -0.03359  -0.03835   2.29672
   D235      -0.01312  -0.00004   0.00068   0.00436   0.00507  -0.00804
   D236       3.13364   0.00009   0.00021   0.00477   0.00498   3.13862
   D237       3.12591  -0.00022   0.00243   0.00570   0.00816   3.13407
   D238      -0.01052  -0.00009   0.00195   0.00611   0.00807  -0.00244
   D239       2.76722  -0.00001   0.00270   0.02383   0.02654   2.79376
   D240       0.66584   0.00016   0.00232   0.02331   0.02564   0.69149
   D241      -1.42248  -0.00013   0.00292   0.02398   0.02692  -1.39556
   D242      -0.37173   0.00018   0.00091   0.02246   0.02335  -0.34837
   D243      -2.47311   0.00035   0.00053   0.02194   0.02246  -2.45065
   D244       1.72175   0.00006   0.00113   0.02262   0.02373   1.74548
   D245       0.01420   0.00003  -0.00082  -0.00379  -0.00463   0.00957
   D246      -3.13206   0.00000   0.00079   0.00148   0.00226  -3.12981
   D247      -3.12532  -0.00011  -0.00129  -0.00739  -0.00867  -3.13399
   D248       0.01160  -0.00013   0.00032  -0.00211  -0.00179   0.00981
   D249      -0.01036   0.00006   0.00070   0.00338   0.00406  -0.00630
   D250       3.13591   0.00008  -0.00090  -0.00190  -0.00282   3.13308
   D251       3.12604  -0.00007   0.00118   0.00297   0.00415   3.13019
   D252      -0.01088  -0.00005  -0.00043  -0.00231  -0.00273  -0.01361
         Item               Value     Threshold  Converged?
 Maximum Force            0.004214     0.000450     NO 
 RMS     Force            0.000590     0.000300     NO 
 Maximum Displacement     3.030939     0.001800     NO 
 RMS     Displacement     0.674934     0.001200     NO 
 Predicted change in Energy=-3.614391D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.127309   -0.182971   -1.240003
      2          8           0       -3.549298    0.170781   -2.355724
      3          8           0       -3.535320   -2.755492    1.553497
      4          8           0        2.395805    2.336252    1.991789
      5          8           0        3.755639   -0.900724    1.459279
      6          7           0       -3.023305   -2.582947   -0.702960
      7          7           0       -3.173514    0.380017   -0.099621
      8          7           0        2.149978    0.930374    0.190595
      9          7           0       -1.697628   -3.911921    0.819845
     10          6           0       -2.700283    1.742374   -0.171328
     11          6           0       -4.168507   -1.732500   -0.940107
     12          6           0       -1.362718    1.873230   -0.916176
     13          6           0       -0.263343    0.959914   -0.408633
     14          6           0       -5.083944   -2.154128   -2.112573
     15          6           0        1.110349    1.701688   -0.443898
     16          6           0       -2.614154    2.391201    1.222358
     17          6           0       -3.645216   -0.293855   -1.201955
     18          6           0       -2.165250   -2.930415   -1.807411
     19          6           0       -0.753223   -3.317405   -1.374279
     20          6           0        1.429054    2.064630   -1.905098
     21          6           0       -2.793651   -3.084303    0.589190
     22          6           0       -6.295581   -1.244886   -2.139278
     23          6           0       -5.527175   -3.595151   -1.977280
     24          6           0       -0.801346   -4.315466   -0.218757
     25          6           0       -3.946730    2.483605    1.875446
     26          6           0        2.711349    2.798826   -2.064161
     27          6           0        2.730178    1.297796    1.381153
     28          6           0       -4.818728    3.531645    1.556998
     29          6           0       -4.339691    1.528585    2.820623
     30          6           0        2.824604    4.126454   -1.632332
     31          6           0        3.811529    2.183218   -2.672337
     32          6           0        3.861614    0.435908    1.959950
     33          6           0       -6.064433    3.622598    2.175051
     34          6           0       -5.586984    1.620570    3.436663
     35          6           0       -6.451229    2.667329    3.115592
     36          6           0        4.016322    4.826181   -1.809899
     37          6           0        5.002818    2.885293   -2.850830
     38          6           0        5.107439    4.208093   -2.421699
     39          6           0        4.975104   -1.538871    1.262643
     40          6           0        5.231092   -1.973437   -0.051719
     41          6           0        5.847384   -1.829216    2.323549
     42          6           0        6.401584   -2.698213   -0.299551
     43          6           0        7.010509   -2.552984    2.038338
     44          6           0        4.266063   -1.671898   -1.131678
     45          6           0        5.558766   -1.389315    3.704878
     46          6           0        7.286090   -2.979646    0.739068
     47          1           0       -3.448048    2.342717   -0.782115
     48          1           0       -4.803380   -1.738984   -0.000534
     49          1           0       -1.542357    1.627294   -1.997561
     50          1           0       -1.044102    2.945612   -0.840896
     51          1           0       -0.475201    0.627205    0.646633
     52          1           0       -4.510437   -2.018514   -3.070251
     53          1           0        0.979736    2.659433    0.143523
     54          1           0       -3.245291   -0.040385    0.797875
     55          1           0       -1.912144    1.813639    1.878471
     56          1           0       -2.185259    3.419191    1.085956
     57          1           0       -2.620390   -3.787482   -2.383235
     58          1           0       -2.112939   -2.040270   -2.500579
     59          1           0       -0.227471   -3.791149   -2.239504
     60          1           0       -0.182563   -2.401099   -1.071496
     61          1           0        1.429261    1.129984   -2.524651
     62          1           0        0.584588    2.712200   -2.266067
     63          1           0       -6.858198   -1.304622   -1.177175
     64          1           0       -6.979963   -1.550784   -2.966396
     65          1           0       -5.984038   -0.186445   -2.310417
     66          1           0       -6.025432   -3.762035   -0.992190
     67          1           0       -4.665029   -4.297975   -2.060883
     68          1           0       -6.256046   -3.843796   -2.786377
     69          1           0        0.228851   -4.430819    0.221372
     70          1           0       -1.110908   -5.325411   -0.622032
     71          1           0        2.370849    0.044577   -0.208328
     72          1           0       -1.597734   -4.282308    1.733708
     73          1           0       -0.970717   -0.650622   -1.218905
     74          1           0       -4.515879    4.285013    0.814768
     75          1           0       -3.659600    0.703871    3.082593
     76          1           0        1.968376    4.612670   -1.141435
     77          1           0        3.732333    1.140202   -3.014009
     78          1           0        3.763245    0.399633    3.080062
     79          1           0        4.836296    0.909979    1.683997
     80          1           0       -6.742725    4.449741    1.920005
     81          1           0       -5.887877    0.864889    4.176933
     82          1           0       -7.434096    2.739652    3.602245
     83          1           0        4.095716    5.867429   -1.465314
     84          1           0        5.860655    2.393930   -3.332015
     85          1           0        6.046290    4.761391   -2.563435
     86          1           0        6.619314   -3.042756   -1.321381
     87          1           0        7.710744   -2.790034    2.853116
     88          1           0        4.500462   -2.250835   -2.057803
     89          1           0        4.288382   -0.579721   -1.378052
     90          1           0        3.227691   -1.925849   -0.802226
     91          1           0        6.138419   -1.990835    4.446702
     92          1           0        4.469113   -1.500706    3.930602
     93          1           0        5.835145   -0.312583    3.834050
     94          1           0        8.209552   -3.540383    0.533803
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0836615      0.0393712      0.0343365
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3209.0175926350 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 EnCoef did     3 forward-backward iterations
 EnCoef did     1 forward-backward iterations
 SCF Done:  E(RAM1) = -0.240205434400     A.U. after   24 cycles
             Convg  =    0.7937D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.002823420   -0.001412040   -0.000056496
      2        8          -0.001992519    0.001071700   -0.001328155
      3        8           0.000648961   -0.001649738    0.001552229
      4        8           0.002819753   -0.000069747    0.001592446
      5        8          -0.000303865    0.003870935   -0.003947779
      6        7          -0.000919656    0.003351475    0.002167667
      7        7          -0.001794308    0.001770228    0.002871715
      8        7           0.001773724   -0.001150632   -0.001003921
      9        7          -0.002413460    0.003111268   -0.001220976
     10        6          -0.001665345    0.000438757   -0.000222453
     11        6          -0.000092188    0.000871439    0.001017485
     12        6          -0.004407165    0.001366409   -0.002019883
     13        6           0.003925684   -0.003432441   -0.004372507
     14        6           0.002736841    0.000811030   -0.001426708
     15        6           0.001672222    0.002454052    0.000130536
     16        6          -0.000391416   -0.001031318    0.000143413
     17        6           0.003342768   -0.003031620   -0.000769831
     18        6           0.000562557   -0.001169070    0.000076092
     19        6           0.000923690    0.001677012    0.001982606
     20        6           0.000878446   -0.001016856   -0.000860841
     21        6           0.000759563    0.000725065   -0.003257752
     22        6          -0.000919181    0.000414941    0.000191319
     23        6          -0.000419107   -0.000144410   -0.000191202
     24        6           0.000891194   -0.001727490    0.001694524
     25        6          -0.000619364    0.000765613   -0.000120062
     26        6          -0.000035913   -0.000273938   -0.000152671
     27        6           0.001093659    0.000874340   -0.000331753
     28        6           0.000081106   -0.000058002    0.000060807
     29        6          -0.000010152   -0.000048387   -0.000099273
     30        6           0.000240627    0.000259690   -0.000168212
     31        6          -0.000191966    0.000083433    0.000245259
     32        6          -0.005254253    0.000757495    0.000529084
     33        6           0.000225961    0.000228450    0.000028486
     34        6          -0.000341752   -0.000251871   -0.000078113
     35        6           0.000339259   -0.000625306    0.000229872
     36        6           0.000137017    0.000004184    0.000196029
     37        6          -0.000218751    0.000116483   -0.000237852
     38        6          -0.000066229    0.000712493    0.000231172
     39        6          -0.002317186   -0.001310249    0.001190261
     40        6           0.002746480   -0.001550065    0.001183774
     41        6           0.000435481   -0.001362782    0.001400070
     42        6          -0.001880353    0.001190349   -0.000563795
     43        6           0.000735414   -0.001106605    0.001997003
     44        6           0.000069809   -0.001039836    0.001386555
     45        6           0.000620425    0.000678339   -0.000978254
     46        6           0.000242766    0.000768159   -0.002405897
     47        1           0.000321281    0.001258564    0.000343771
     48        1          -0.000998060    0.000224595   -0.000648407
     49        1          -0.002253444   -0.001434467    0.000658489
     50        1          -0.000539135    0.000220096    0.000415539
     51        1          -0.000006719    0.000249730   -0.000306409
     52        1           0.000202761   -0.000583135    0.001347833
     53        1           0.000124751   -0.000314396   -0.001367010
     54        1          -0.000844435    0.001693553   -0.000555960
     55        1           0.001291337   -0.000973346   -0.000197379
     56        1           0.000046499   -0.000060463   -0.000772131
     57        1          -0.000073886    0.000436443    0.000417828
     58        1          -0.000459756   -0.000789370    0.000928494
     59        1           0.000139162   -0.001149799    0.000331273
     60        1           0.004035786    0.000175908    0.001334842
     61        1           0.000310463   -0.000116659    0.000866971
     62        1          -0.000144462   -0.001695453    0.001330518
     63        1          -0.000047484    0.000454058   -0.000178871
     64        1          -0.000180544   -0.000137433    0.000342399
     65        1          -0.000373310   -0.000387461   -0.000256026
     66        1           0.000123289    0.000205490   -0.000347383
     67        1           0.000142621   -0.000122526    0.000173736
     68        1          -0.000332960   -0.000061491    0.000231123
     69        1           0.000759200   -0.000608319   -0.000469552
     70        1          -0.000270753    0.000337979   -0.000121276
     71        1          -0.000886589   -0.000271608   -0.001161279
     72        1           0.000303261   -0.000043909    0.000041956
     73        1          -0.004010714   -0.000014887   -0.000346523
     74        1          -0.000125075   -0.000037140   -0.000048358
     75        1           0.000160242    0.000205304    0.000126651
     76        1          -0.000204799   -0.000154006    0.000005711
     77        1           0.000197319   -0.000109963   -0.000034315
     78        1          -0.002673151   -0.000339543    0.001400888
     79        1           0.000425373   -0.001286725    0.000161755
     80        1          -0.000131753    0.000022171   -0.000027832
     81        1           0.000089374    0.000153647    0.000010873
     82        1          -0.000152164    0.000229456   -0.000083354
     83        1          -0.000032725   -0.000090592   -0.000127061
     84        1           0.000114835   -0.000104601    0.000074011
     85        1           0.000065013   -0.000277236   -0.000102598
     86        1           0.000224016    0.000005248    0.000018164
     87        1           0.000275021   -0.000094996   -0.000018235
     88        1          -0.000005016   -0.000151711    0.000037617
     89        1           0.000116345   -0.000666180   -0.000133177
     90        1          -0.000015092    0.000701960    0.000607859
     91        1           0.000397461    0.000119248   -0.000127724
     92        1           0.000079246    0.000784573    0.000129675
     93        1          -0.000002901   -0.000414203   -0.000361206
     94        1           0.000347572    0.000102663    0.000170075
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005254253 RMS     0.001237184

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.018275727 RMS     0.002227415
 Search for a local minimum.
 Step number   8 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    7    8
 DE= -2.83D-04 DEPred=-3.61D-03 R= 7.84D-02
 Trust test= 7.84D-02 RLast= 1.43D+00 DXMaxT set to 7.14D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00047   0.00230   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00237   0.00241   0.00246   0.00260   0.00326
     Eigenvalues ---    0.00417   0.00430   0.00474   0.00483   0.00557
     Eigenvalues ---    0.00579   0.00667   0.00756   0.00817   0.00973
     Eigenvalues ---    0.01297   0.01328   0.01359   0.01368   0.01406
     Eigenvalues ---    0.01431   0.01434   0.01444   0.01469   0.01517
     Eigenvalues ---    0.01565   0.01944   0.02009   0.02071   0.02082
     Eigenvalues ---    0.02099   0.02118   0.02128   0.02144   0.02150
     Eigenvalues ---    0.02151   0.02154   0.02156   0.02162   0.02169
     Eigenvalues ---    0.02172   0.02173   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02182   0.02187   0.02188
     Eigenvalues ---    0.02188   0.02373   0.02432   0.03113   0.03350
     Eigenvalues ---    0.03458   0.03583   0.03743   0.03769   0.03877
     Eigenvalues ---    0.03978   0.04077   0.04387   0.04410   0.04503
     Eigenvalues ---    0.04740   0.04848   0.04875   0.04946   0.04996
     Eigenvalues ---    0.05089   0.05129   0.05394   0.05413   0.05416
     Eigenvalues ---    0.05496   0.05541   0.05592   0.05609   0.05638
     Eigenvalues ---    0.05675   0.05934   0.05963   0.06785   0.06957
     Eigenvalues ---    0.07071   0.07111   0.07222   0.07325   0.07475
     Eigenvalues ---    0.07553   0.07927   0.08109   0.08534   0.09107
     Eigenvalues ---    0.09318   0.09415   0.09418   0.10922   0.11424
     Eigenvalues ---    0.12266   0.12312   0.12718   0.12873   0.13914
     Eigenvalues ---    0.15784   0.15923   0.15934   0.15957   0.15983
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16004   0.16008   0.16015   0.16067   0.16220
     Eigenvalues ---    0.16443   0.16478   0.16899   0.17166   0.18136
     Eigenvalues ---    0.18877   0.19118   0.19704   0.19864   0.20146
     Eigenvalues ---    0.21480   0.21859   0.21971   0.21997   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22055   0.22086   0.22359
     Eigenvalues ---    0.22949   0.23385   0.23477   0.23509   0.23856
     Eigenvalues ---    0.24247   0.24691   0.24895   0.24967   0.24977
     Eigenvalues ---    0.24986   0.24993   0.24999   0.25018   0.25076
     Eigenvalues ---    0.25190   0.25605   0.26662   0.26899   0.27126
     Eigenvalues ---    0.27399   0.27650   0.27904   0.28184   0.28316
     Eigenvalues ---    0.28615   0.28716   0.29714   0.29835   0.30136
     Eigenvalues ---    0.30600   0.31366   0.32294   0.32582   0.33677
     Eigenvalues ---    0.34167   0.34467   0.34516   0.34567   0.34604
     Eigenvalues ---    0.34634   0.34657   0.34695   0.34701   0.34708
     Eigenvalues ---    0.34725   0.34735   0.34740   0.34745   0.34749
     Eigenvalues ---    0.34752   0.34761   0.34773   0.34781   0.34791
     Eigenvalues ---    0.34798   0.34805   0.34816   0.34825   0.34832
     Eigenvalues ---    0.34834   0.34851   0.34871   0.34884   0.34963
     Eigenvalues ---    0.35685   0.35808   0.35878   0.35901   0.35908
     Eigenvalues ---    0.35922   0.35945   0.35968   0.35983   0.35995
     Eigenvalues ---    0.36003   0.36004   0.36025   0.36033   0.36061
     Eigenvalues ---    0.37237   0.38269   0.40423   0.41455   0.42172
     Eigenvalues ---    0.42227   0.42258   0.42337   0.42395   0.43666
     Eigenvalues ---    0.45264   0.45679   0.45924   0.45991   0.46068
     Eigenvalues ---    0.46070   0.46136   0.46163   0.46346   0.46417
     Eigenvalues ---    0.46762   0.46765   0.46867   0.46963   0.47110
     Eigenvalues ---    0.48177   0.49450   0.49889   0.52979   0.55485
     Eigenvalues ---    0.57097   0.58487   0.89862   0.90412   0.91989
     Eigenvalues ---    0.978261000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-3.62962165D-03 EMin= 4.68992326D-04
 Quartic linear search produced a step of -0.49935.
 Iteration  1 RMS(Cart)=  0.17694067 RMS(Int)=  0.00379664
 Iteration  2 RMS(Cart)=  0.01992158 RMS(Int)=  0.00008307
 Iteration  3 RMS(Cart)=  0.00013101 RMS(Int)=  0.00007389
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00007389
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68306  -0.00083  -0.00185   0.00653   0.00468   2.68773
    R2        1.82286   0.00116  -0.00148   0.00244   0.00097   1.82382
    R3        2.35744  -0.00048  -0.00050   0.00045  -0.00005   2.35739
    R4        2.38141  -0.00235  -0.00112   0.00068  -0.00044   2.38097
    R5        2.36259  -0.00286   0.00027  -0.00198  -0.00171   2.36088
    R6        2.70468   0.00052  -0.00060   0.00335   0.00275   2.70743
    R7        2.62732   0.00410   0.00112   0.00373   0.00485   2.63218
    R8        2.73259   0.00497   0.00016  -0.00092  -0.00076   2.73183
    R9        2.72331   0.00488   0.00355  -0.00305   0.00038   2.72369
   R10        2.65488   0.00153   0.00160  -0.00149   0.00008   2.65496
   R11        2.72875   0.00889  -0.00025   0.00580   0.00554   2.73429
   R12        2.59914   0.00231  -0.00034   0.00058   0.00024   2.59939
   R13        1.87777   0.00109   0.00012   0.00011   0.00023   1.87801
   R14        2.72431  -0.00106   0.00110  -0.00227  -0.00117   2.72314
   R15        2.59730  -0.00340  -0.00270   0.00116  -0.00154   2.59576
   R16        1.88268  -0.00148  -0.00076  -0.00088  -0.00164   1.88105
   R17        2.63169  -0.00019   0.00074  -0.00145  -0.00063   2.63106
   R18        2.70228   0.00319   0.00397  -0.00381   0.00029   2.70257
   R19        1.87294   0.00013  -0.00003  -0.00035  -0.00038   1.87256
   R20        2.90367   0.00336   0.00044   0.00489   0.00533   2.90900
   R21        2.90966   0.00046  -0.00048   0.00299   0.00251   2.91217
   R22        2.14850  -0.00040  -0.00007   0.00045   0.00038   2.14888
   R23        2.92173  -0.00052  -0.00163   0.00211   0.00049   2.92222
   R24        2.93492   0.00793   0.00115   0.00520   0.00635   2.94127
   R25        2.14291   0.00066   0.00009   0.00142   0.00151   2.14442
   R26        2.86614   0.00468   0.00115   0.00902   0.01017   2.87631
   R27        2.12302   0.00172  -0.00076   0.00405   0.00329   2.12631
   R28        2.11884  -0.00024   0.00166  -0.00211  -0.00044   2.11840
   R29        2.95094   0.00155  -0.00031   0.00465   0.00434   2.95528
   R30        2.12891   0.00035   0.00128  -0.00064   0.00064   2.12956
   R31        2.86311   0.00150  -0.00005   0.00377   0.00372   2.86683
   R32        2.86049  -0.00036   0.00143  -0.00470  -0.00327   2.85722
   R33        2.12495   0.00117   0.00080   0.00119   0.00199   2.12694
   R34        2.90822   0.00245  -0.00100   0.00777   0.00677   2.91498
   R35        2.13748   0.00120   0.00058   0.00138   0.00196   2.13944
   R36        2.80980   0.00074   0.00062  -0.00019   0.00043   2.81024
   R37        2.11858   0.00113   0.00041   0.00153   0.00194   2.12053
   R38        2.12064   0.00045  -0.00005   0.00134   0.00129   2.12193
   R39        2.88527   0.00319   0.00158  -0.00049   0.00103   2.88630
   R40        2.13237   0.00055   0.00039   0.00097   0.00137   2.13374
   R41        2.13428   0.00088  -0.00129   0.00342   0.00212   2.13641
   R42        2.88681  -0.00030   0.00150  -0.00281  -0.00129   2.88553
   R43        2.11232   0.00092  -0.00096   0.00311   0.00215   2.11448
   R44        2.11864  -0.00134  -0.00023   0.00112   0.00089   2.11953
   R45        2.80841  -0.00012   0.00066  -0.00154  -0.00088   2.80752
   R46        2.11903   0.00090   0.00090   0.00077   0.00167   2.12070
   R47        2.12354   0.00011  -0.00050   0.00170   0.00120   2.12474
   R48        2.10918   0.00048  -0.00024   0.00168   0.00144   2.11062
   R49        2.10946   0.00036  -0.00011   0.00129   0.00117   2.11063
   R50        2.10994   0.00058  -0.00002   0.00153   0.00150   2.11145
   R51        2.10983   0.00036  -0.00024   0.00144   0.00120   2.11103
   R52        2.10791   0.00022  -0.00010   0.00117   0.00108   2.10899
   R53        2.11084   0.00037  -0.00038   0.00163   0.00125   2.11209
   R54        2.12821   0.00104  -0.00150   0.00387   0.00237   2.13058
   R55        2.13668  -0.00002  -0.00092   0.00196   0.00104   2.13773
   R56        2.64574   0.00002  -0.00019   0.00040   0.00021   2.64594
   R57        2.64551   0.00008  -0.00015   0.00053   0.00039   2.64589
   R58        2.64690   0.00002  -0.00016   0.00024   0.00008   2.64698
   R59        2.64511   0.00001   0.00003  -0.00007  -0.00004   2.64507
   R60        2.90182  -0.00584  -0.00521  -0.00027  -0.00548   2.89634
   R61        2.63347  -0.00011   0.00026  -0.00054  -0.00028   2.63319
   R62        2.07886   0.00009  -0.00027   0.00096   0.00069   2.07955
   R63        2.63460  -0.00012   0.00002  -0.00020  -0.00018   2.63442
   R64        2.07982   0.00020  -0.00042   0.00129   0.00087   2.08069
   R65        2.63299  -0.00013   0.00027  -0.00057  -0.00031   2.63269
   R66        2.07914   0.00005  -0.00033   0.00096   0.00063   2.07977
   R67        2.63475  -0.00020   0.00001  -0.00024  -0.00023   2.63452
   R68        2.07947   0.00002  -0.00045   0.00104   0.00059   2.08006
   R69        2.12596  -0.00198  -0.00016  -0.00212  -0.00228   2.12368
   R70        2.11354   0.00128   0.00098   0.00056   0.00154   2.11508
   R71        2.63667  -0.00035  -0.00016  -0.00027  -0.00043   2.63623
   R72        2.07809   0.00013  -0.00017   0.00082   0.00065   2.07874
   R73        2.63595  -0.00026   0.00003  -0.00051  -0.00048   2.63547
   R74        2.07835   0.00018  -0.00020   0.00091   0.00071   2.07905
   R75        2.07706   0.00029   0.00004   0.00073   0.00076   2.07782
   R76        2.63674  -0.00022  -0.00009  -0.00035  -0.00044   2.63630
   R77        2.07805   0.00015  -0.00021   0.00088   0.00067   2.07871
   R78        2.63541  -0.00027   0.00004  -0.00060  -0.00056   2.63484
   R79        2.07772   0.00017  -0.00023   0.00093   0.00070   2.07842
   R80        2.07670   0.00030   0.00003   0.00071   0.00074   2.07744
   R81        2.66037   0.00382  -0.00307   0.00938   0.00630   2.66668
   R82        2.65282   0.00265   0.00258  -0.00021   0.00237   2.65520
   R83        2.64344  -0.00123   0.00065  -0.00186  -0.00121   2.64223
   R84        2.79559   0.00098   0.00222  -0.00506  -0.00284   2.79275
   R85        2.64430   0.00055  -0.00096   0.00208   0.00113   2.64542
   R86        2.79327   0.00172   0.00239  -0.00189   0.00050   2.79377
   R87        2.63228  -0.00001  -0.00029  -0.00010  -0.00040   2.63188
   R88        2.07892   0.00002   0.00001   0.00039   0.00039   2.07931
   R89        2.63621  -0.00321  -0.00049  -0.00276  -0.00325   2.63296
   R90        2.07903   0.00023  -0.00018   0.00096   0.00078   2.07981
   R91        2.11093   0.00009   0.00009   0.00053   0.00061   2.11155
   R92        2.11620   0.00040  -0.00066   0.00203   0.00137   2.11757
   R93        2.11383   0.00068  -0.00025   0.00178   0.00153   2.11536
   R94        2.11119   0.00043  -0.00021   0.00148   0.00126   2.11246
   R95        2.11337   0.00060  -0.00017   0.00166   0.00149   2.11486
   R96        2.11482   0.00050  -0.00038   0.00184   0.00146   2.11628
   R97        2.07813   0.00031  -0.00012   0.00091   0.00079   2.07892
    A1        1.86886  -0.00408   0.00256  -0.00251   0.00005   1.86891
    A2        1.99674   0.00037  -0.00369   0.00495   0.00126   1.99800
    A3        2.08021   0.00559  -0.00001   0.00277   0.00282   2.08303
    A4        2.08309  -0.00327  -0.00024  -0.00339  -0.00357   2.07952
    A5        2.11941  -0.00241  -0.00182   0.00062  -0.00078   2.11863
    A6        2.13512   0.00515   0.00044   0.00257   0.00299   2.13811
    A7        2.05747  -0.00318   0.00014  -0.00379  -0.00367   2.05380
    A8        2.08498  -0.00245   0.00156  -0.00594  -0.00440   2.08058
    A9        2.14437   0.00091   0.00364  -0.00741  -0.00358   2.14079
   A10        2.04805  -0.00050  -0.00186   0.00263   0.00096   2.04901
   A11        2.08397  -0.00043   0.00050   0.00087   0.00156   2.08553
   A12        2.14206   0.00032  -0.00458   0.00322  -0.00061   2.14145
   A13        2.04219   0.00006   0.00185  -0.00097   0.00072   2.04291
   A14        2.09562  -0.00046   0.00060  -0.00093  -0.00049   2.09513
   A15        1.97110   0.01270   0.01009   0.00446   0.01455   1.98565
   A16        1.95083  -0.00373   0.00180  -0.00279  -0.00096   1.94987
   A17        1.88527  -0.00351  -0.00859   0.00390  -0.00472   1.88055
   A18        1.93285  -0.00726  -0.00269  -0.00227  -0.00493   1.92792
   A19        1.84122  -0.00150  -0.00238   0.00081  -0.00162   1.83960
   A20        1.87606   0.00314   0.00080  -0.00414  -0.00334   1.87272
   A21        2.01850  -0.01018  -0.00112  -0.00691  -0.00818   2.01032
   A22        1.88136   0.01828   0.00217   0.01727   0.01947   1.90083
   A23        1.87984  -0.00144   0.00214  -0.00769  -0.00556   1.87428
   A24        1.90101  -0.00525  -0.00241   0.00837   0.00595   1.90696
   A25        1.87054   0.00396  -0.00200  -0.00183  -0.00388   1.86666
   A26        1.91095  -0.00573   0.00136  -0.01026  -0.00885   1.90210
   A27        2.00147   0.00148   0.01439  -0.01373   0.00077   2.00223
   A28        1.88469  -0.00033  -0.00074   0.00641   0.00601   1.89071
   A29        1.87158  -0.00126  -0.00504  -0.00155  -0.00670   1.86488
   A30        1.88198   0.00076   0.00940  -0.00745   0.00211   1.88409
   A31        1.92569  -0.00030  -0.01555   0.01780   0.00213   1.92782
   A32        1.89593  -0.00044  -0.00339  -0.00117  -0.00461   1.89132
   A33        1.93716  -0.00392   0.01398  -0.01851  -0.00453   1.93263
   A34        1.85966  -0.00148  -0.00127   0.00016  -0.00100   1.85866
   A35        1.90581   0.00211   0.00123  -0.00164  -0.00047   1.90534
   A36        1.92201   0.00777   0.00172   0.00657   0.00838   1.93039
   A37        1.93369  -0.00227  -0.00940   0.00744  -0.00195   1.93174
   A38        1.90379  -0.00218  -0.00643   0.00598  -0.00040   1.90338
   A39        1.89992   0.00034   0.00343   0.00130   0.00472   1.90464
   A40        1.94464   0.00007  -0.00215  -0.00174  -0.00389   1.94076
   A41        1.88702   0.00016   0.00266   0.00004   0.00269   1.88971
   A42        1.91635  -0.00042   0.00009  -0.00155  -0.00145   1.91490
   A43        1.89704   0.00000  -0.00153   0.00331   0.00178   1.89882
   A44        1.91800  -0.00014  -0.00244  -0.00118  -0.00362   1.91438
   A45        1.95012  -0.00119  -0.00693   0.00682  -0.00010   1.95002
   A46        1.97655  -0.00319   0.00106  -0.00319  -0.00215   1.97440
   A47        1.88360   0.00099  -0.00080  -0.00218  -0.00296   1.88064
   A48        1.89193   0.00401   0.00543  -0.00161   0.00382   1.89575
   A49        1.86388  -0.00073   0.00030   0.00128   0.00160   1.86548
   A50        1.89369   0.00021   0.00100  -0.00106  -0.00006   1.89363
   A51        1.95371  -0.00044   0.00248  -0.00380  -0.00132   1.95239
   A52        1.92588  -0.00047  -0.00125   0.00261   0.00136   1.92724
   A53        1.87274   0.00071   0.00048   0.00073   0.00121   1.87395
   A54        1.91362   0.00082   0.00000   0.00139   0.00139   1.91502
   A55        1.91664  -0.00020  -0.00038  -0.00031  -0.00069   1.91595
   A56        1.87941  -0.00042  -0.00148  -0.00055  -0.00203   1.87739
   A57        2.13222  -0.00254   0.00080  -0.00184  -0.00131   2.13090
   A58        2.12568   0.00027  -0.00200   0.00661   0.00435   2.13002
   A59        2.02002   0.00310   0.00348  -0.00184   0.00137   2.02139
   A60        1.97615   0.00219  -0.00272   0.00490   0.00233   1.97849
   A61        1.91141  -0.00094  -0.00199  -0.00394  -0.00594   1.90546
   A62        1.88379  -0.00021   0.00169   0.00234   0.00394   1.88773
   A63        1.90210  -0.00261  -0.00119  -0.00221  -0.00343   1.89866
   A64        1.90820   0.00147   0.00271   0.00077   0.00342   1.91161
   A65        1.87981   0.00005   0.00172  -0.00213  -0.00038   1.87943
   A66        1.92948  -0.00107  -0.00891   0.00983   0.00116   1.93064
   A67        1.89951   0.00028   0.00420  -0.00414  -0.00008   1.89943
   A68        1.91792   0.00266   0.00093   0.00229   0.00322   1.92114
   A69        1.90013   0.00080   0.00607  -0.00465   0.00130   1.90144
   A70        1.92381  -0.00173  -0.00005  -0.00418  -0.00426   1.91954
   A71        1.89234  -0.00093  -0.00201   0.00060  -0.00136   1.89097
   A72        1.97884  -0.00173   0.00386  -0.00560  -0.00174   1.97711
   A73        1.90505   0.00021  -0.00269   0.00523   0.00253   1.90757
   A74        1.86009   0.00245   0.00415  -0.00041   0.00374   1.86382
   A75        1.93102   0.00042  -0.00246   0.00170  -0.00076   1.93026
   A76        1.90639  -0.00060  -0.00272   0.00122  -0.00147   1.90492
   A77        1.87862  -0.00066  -0.00009  -0.00212  -0.00222   1.87640
   A78        2.11119  -0.00082   0.00106  -0.00246  -0.00165   2.10955
   A79        2.08462  -0.00033  -0.00003   0.00084   0.00057   2.08519
   A80        2.08640   0.00122  -0.00119   0.00228   0.00153   2.08793
   A81        1.93457   0.00004   0.00014  -0.00025  -0.00010   1.93447
   A82        1.91655  -0.00015  -0.00001  -0.00135  -0.00135   1.91519
   A83        1.92672   0.00020   0.00064   0.00138   0.00202   1.92875
   A84        1.89125   0.00005   0.00022  -0.00037  -0.00015   1.89110
   A85        1.90024  -0.00004  -0.00040   0.00088   0.00048   1.90072
   A86        1.89365  -0.00010  -0.00062  -0.00033  -0.00095   1.89271
   A87        1.93033  -0.00015   0.00018  -0.00052  -0.00034   1.92998
   A88        1.94637   0.00005  -0.00102  -0.00124  -0.00226   1.94411
   A89        1.91584  -0.00023   0.00022  -0.00078  -0.00057   1.91527
   A90        1.89323   0.00007  -0.00014   0.00092   0.00078   1.89401
   A91        1.89086   0.00021   0.00041   0.00093   0.00135   1.89220
   A92        1.88577   0.00007   0.00039   0.00081   0.00119   1.88697
   A93        1.96574   0.00069  -0.00630   0.00630   0.00057   1.96631
   A94        1.89484   0.00079   0.00225  -0.00176   0.00026   1.89511
   A95        1.91719  -0.00134  -0.00150  -0.00036  -0.00194   1.91525
   A96        1.91104  -0.00099   0.00481  -0.00535  -0.00070   1.91033
   A97        1.89907   0.00058  -0.00138   0.00173   0.00023   1.89930
   A98        1.87375   0.00024   0.00250  -0.00093   0.00164   1.87539
   A99        2.09995  -0.00025  -0.00051   0.00028  -0.00023   2.09972
   A100       2.10101   0.00017   0.00009   0.00025   0.00033   2.10135
   A101       2.08220   0.00008   0.00042  -0.00052  -0.00010   2.08210
   A102       2.10021   0.00001  -0.00002  -0.00039  -0.00042   2.09980
   A103       2.10297  -0.00017  -0.00051   0.00107   0.00055   2.10353
   A104       2.07976   0.00016   0.00049  -0.00058  -0.00009   2.07967
   A105       2.13202   0.00198   0.00268  -0.00362  -0.00121   2.13081
   A106       2.07050  -0.00160  -0.00291  -0.00230  -0.00548   2.06502
   A107       2.08001  -0.00038  -0.00007   0.00767   0.00733   2.08734
   A108       2.09986  -0.00007  -0.00024   0.00019  -0.00005   2.09980
   A109       2.08822   0.00015   0.00074  -0.00067   0.00007   2.08828
   A110       2.09511  -0.00007  -0.00050   0.00048  -0.00001   2.09510
   A111       2.09954  -0.00019  -0.00018  -0.00007  -0.00025   2.09929
   A112       2.09259   0.00027   0.00053  -0.00002   0.00050   2.09309
   A113       2.09105  -0.00008  -0.00035   0.00010  -0.00025   2.09080
   A114       2.10119  -0.00015  -0.00034   0.00027  -0.00006   2.10113
   A115       2.08691   0.00021   0.00070  -0.00059   0.00011   2.08702
   A116       2.09503  -0.00005  -0.00037   0.00032  -0.00005   2.09498
   A117       2.10103  -0.00016  -0.00019   0.00007  -0.00012   2.10091
   A118       2.08887   0.00029   0.00074  -0.00056   0.00018   2.08905
   A119       2.09328  -0.00013  -0.00055   0.00049  -0.00006   2.09322
   A120       1.91534   0.00263   0.00836   0.00186   0.01026   1.92559
   A121       1.88778   0.00022  -0.00440   0.00360  -0.00082   1.88696
   A122       1.95418  -0.00092   0.00108  -0.00328  -0.00211   1.95208
   A123       1.90600  -0.00276  -0.00969   0.00290  -0.00682   1.89917
   A124       1.88725  -0.00036   0.00367  -0.00927  -0.00555   1.88170
   A125       1.91296   0.00112   0.00056   0.00441   0.00494   1.91790
   A126       2.09680  -0.00003  -0.00014   0.00023   0.00009   2.09690
   A127       2.09162   0.00005   0.00008  -0.00001   0.00007   2.09169
   A128       2.09477  -0.00002   0.00006  -0.00022  -0.00017   2.09460
   A129       2.09683   0.00005  -0.00015   0.00036   0.00022   2.09705
   A130       2.09076  -0.00004   0.00026  -0.00041  -0.00015   2.09061
   A131       2.09559  -0.00001  -0.00012   0.00005  -0.00007   2.09552
   A132       2.09114   0.00017   0.00029  -0.00020   0.00009   2.09123
   A133       2.09591  -0.00008  -0.00005  -0.00003  -0.00007   2.09583
   A134       2.09614  -0.00008  -0.00024   0.00022  -0.00002   2.09612
   A135       2.09701  -0.00004  -0.00012   0.00019   0.00007   2.09708
   A136       2.09133   0.00007   0.00008   0.00004   0.00013   2.09146
   A137       2.09484  -0.00003   0.00004  -0.00023  -0.00020   2.09465
   A138       2.09709   0.00000  -0.00022   0.00037   0.00015   2.09724
   A139       2.09166   0.00001   0.00020  -0.00022  -0.00001   2.09165
   A140       2.09443  -0.00002   0.00002  -0.00015  -0.00014   2.09430
   A141       2.09028   0.00019   0.00038  -0.00032   0.00005   2.09033
   A142       2.09624  -0.00010  -0.00016   0.00013  -0.00003   2.09621
   A143       2.09667  -0.00009  -0.00022   0.00020  -0.00002   2.09665
   A144       2.01885   0.00459   0.01403  -0.00906   0.00498   2.02383
   A145       2.13300  -0.00150  -0.01080   0.01003  -0.00078   2.13222
   A146       2.12791  -0.00310  -0.00357  -0.00050  -0.00406   2.12385
   A147       2.06860   0.00000   0.00029   0.00005   0.00035   2.06895
   A148       2.09442   0.00309   0.00743  -0.00448   0.00294   2.09737
   A149       2.12012  -0.00309  -0.00777   0.00451  -0.00326   2.11686
   A150       2.05944   0.00140   0.00387  -0.00227   0.00161   2.06105
   A151       2.12158   0.00096  -0.00131   0.00268   0.00135   2.12294
   A152       2.10216  -0.00236  -0.00256  -0.00041  -0.00297   2.09919
   A153       2.09892   0.00150   0.00259  -0.00106   0.00153   2.10045
   A154       2.08569  -0.00053  -0.00044  -0.00017  -0.00061   2.08507
   A155       2.09858  -0.00097  -0.00215   0.00123  -0.00092   2.09766
   A156       2.10858   0.00025  -0.00150   0.00221   0.00071   2.10929
   A157       2.08237   0.00006   0.00104  -0.00087   0.00016   2.08253
   A158       2.09223  -0.00031   0.00047  -0.00135  -0.00088   2.09135
   A159       1.94198  -0.00014  -0.00072  -0.00006  -0.00078   1.94120
   A160       1.92453  -0.00037  -0.00039  -0.00170  -0.00209   1.92244
   A161       1.92225   0.00029   0.00111  -0.00122  -0.00010   1.92215
   A162       1.89534  -0.00007  -0.00217   0.00353   0.00136   1.89671
   A163       1.89791  -0.00020  -0.00317   0.00487   0.00170   1.89961
   A164       1.88044   0.00051   0.00543  -0.00544  -0.00001   1.88043
   A165       1.93796  -0.00012  -0.00040  -0.00053  -0.00093   1.93703
   A166       1.92754   0.00017  -0.00008   0.00038   0.00030   1.92784
   A167       1.92408  -0.00004  -0.00056   0.00059   0.00003   1.92411
   A168       1.89430  -0.00022  -0.00011  -0.00065  -0.00076   1.89353
   A169       1.88941  -0.00004   0.00035  -0.00046  -0.00012   1.88929
   A170       1.88931   0.00026   0.00084   0.00068   0.00152   1.89083
   A171       2.10275  -0.00005  -0.00184   0.00173  -0.00011   2.10264
   A172       2.09102   0.00008   0.00059  -0.00014   0.00045   2.09147
   A173       2.08942  -0.00003   0.00125  -0.00160  -0.00034   2.08907
    D1       -1.05562   0.00525   0.00765   0.01441   0.02207  -1.03355
    D2        3.13497  -0.00104  -0.00172   0.01678   0.01509  -3.13312
    D3        1.08107   0.00125   0.00591   0.01050   0.01636   1.09743
    D4        2.54908   0.00022  -0.00783  -0.03618  -0.04403   2.50504
    D5       -1.65633  -0.00147  -0.01740  -0.02948  -0.04687  -1.70320
    D6        0.45323  -0.00051  -0.01897  -0.02364  -0.04259   0.41064
    D7       -2.11140   0.00079   0.01959   0.00955   0.02916  -2.08225
    D8        1.11743   0.00108   0.02385   0.00369   0.02753   1.14496
    D9        0.87328  -0.00251  -0.01867  -0.02539  -0.04405   0.82922
   D10       -1.25836  -0.00281  -0.01644  -0.04485  -0.06125  -1.31962
   D11        2.96441  -0.00504  -0.02038  -0.03785  -0.05818   2.90623
   D12       -2.23565   0.00054   0.01594  -0.02567  -0.00978  -2.24543
   D13        1.91590   0.00024   0.01817  -0.04512  -0.02698   1.88892
   D14       -0.14452  -0.00198   0.01423  -0.03813  -0.02390  -0.16842
   D15        2.73132   0.00547   0.01392   0.03237   0.04632   2.77764
   D16       -1.42527   0.00293   0.00914   0.03002   0.03921  -1.38606
   D17        0.61660   0.00236   0.01106   0.02665   0.03773   0.65432
   D18       -0.44364   0.00234  -0.02134   0.03258   0.01120  -0.43244
   D19        1.68296  -0.00020  -0.02612   0.03022   0.00409   1.68704
   D20       -2.55837  -0.00077  -0.02419   0.02685   0.00261  -2.55576
   D21       -0.05602  -0.00282  -0.00369  -0.02781  -0.03150  -0.08752
   D22        3.13315  -0.00450   0.00012  -0.04418  -0.04406   3.08909
   D23        3.11900   0.00015   0.03161  -0.02813   0.00343   3.12243
   D24        0.02498  -0.00153   0.03542  -0.04450  -0.00912   0.01586
   D25       -1.23465  -0.00390  -0.00811   0.00069  -0.00744  -1.24209
   D26        2.85510  -0.00123  -0.01415   0.00246  -0.01167   2.84343
   D27        0.79472  -0.00070  -0.01082   0.00670  -0.00410   0.79062
   D28        2.02136   0.00121  -0.03749   0.07372   0.03619   2.05756
   D29       -0.17207   0.00389  -0.04353   0.07548   0.03196  -0.14011
   D30       -2.23245   0.00441  -0.04020   0.07973   0.03953  -2.19292
   D31        0.14958   0.00441  -0.04076   0.06032   0.01967   0.16925
   D32       -3.10036   0.01301  -0.00654   0.09072   0.08408  -3.01628
   D33       -3.10818  -0.00082  -0.01097  -0.01367  -0.02455  -3.13272
   D34       -0.07493   0.00778   0.02325   0.01673   0.03986  -0.03507
   D35       -1.93487   0.00137  -0.08320   0.09258   0.00938  -1.92550
   D36        2.20580  -0.00063  -0.08583   0.09187   0.00603   2.21183
   D37        0.10920   0.00041  -0.08720   0.09667   0.00946   0.11865
   D38        1.08073   0.00120  -0.05645   0.05661   0.00018   1.08091
   D39       -1.06178  -0.00080  -0.05908   0.05590  -0.00317  -1.06495
   D40        3.12480   0.00025  -0.06045   0.06070   0.00026   3.12506
   D41       -0.00654  -0.00007   0.01032  -0.00187   0.00846   0.00192
   D42       -3.10881   0.00005   0.01796  -0.05439  -0.03650   3.13787
   D43       -3.01966   0.00010  -0.01687   0.03470   0.01790  -3.00177
   D44        0.16125   0.00022  -0.00922  -0.01782  -0.02707   0.13419
   D45       -3.12826  -0.00196  -0.04627   0.03699  -0.00930  -3.13756
   D46       -0.03351  -0.00033  -0.04998   0.05301   0.00301  -0.03049
   D47        0.10088  -0.00079  -0.02408   0.01966  -0.00445   0.09644
   D48       -3.08755   0.00085  -0.02779   0.03568   0.00787  -3.07968
   D49        0.45696   0.00139   0.04767  -0.04726   0.00042   0.45738
   D50        2.57626   0.00113   0.05119  -0.05116   0.00008   2.57634
   D51       -1.66281   0.00113   0.05465  -0.05350   0.00111  -1.66171
   D52       -2.77477   0.00020   0.02490  -0.02941  -0.00452  -2.77929
   D53       -0.65547  -0.00005   0.02842  -0.03331  -0.00486  -0.66032
   D54        1.38864  -0.00006   0.03188  -0.03565  -0.00383   1.38481
   D55       -0.91562   0.00019  -0.09588   0.07142  -0.02444  -0.94006
   D56        1.18272   0.00188  -0.07460   0.05772  -0.01687   1.16585
   D57       -3.06030   0.00054  -0.08151   0.05882  -0.02269  -3.08299
   D58        1.28746  -0.00071  -0.08766   0.06934  -0.01831   1.26915
   D59       -2.89739   0.00097  -0.06638   0.05564  -0.01074  -2.90812
   D60       -0.85722  -0.00037  -0.07329   0.05675  -0.01656  -0.87378
   D61       -2.97100  -0.00143  -0.08934   0.06380  -0.02553  -2.99653
   D62       -0.87266   0.00026  -0.06806   0.05010  -0.01796  -0.89063
   D63        1.16751  -0.00108  -0.07497   0.05120  -0.02379   1.14372
   D64       -1.09378   0.00426   0.02729  -0.00905   0.01824  -1.07555
   D65        1.04254   0.00466   0.02812  -0.00804   0.02008   1.06262
   D66        3.08548   0.00431   0.02595  -0.00687   0.01909   3.10456
   D67        2.97507  -0.00401   0.01457  -0.01102   0.00355   2.97862
   D68       -1.17178  -0.00360   0.01540  -0.01002   0.00539  -1.16640
   D69        0.87115  -0.00395   0.01324  -0.00884   0.00440   0.87554
   D70        0.97209  -0.00020   0.01835  -0.00848   0.00987   0.98196
   D71        3.10842   0.00020   0.01918  -0.00747   0.01171   3.12013
   D72       -1.13183  -0.00015   0.01701  -0.00629   0.01072  -1.12111
   D73        3.04727  -0.00605   0.05599  -0.05811  -0.00209   3.04518
   D74        0.93141  -0.00580   0.05497  -0.05593  -0.00093   0.93048
   D75       -1.17800  -0.00577   0.05758  -0.05342   0.00419  -1.17381
   D76       -1.11478   0.00674   0.05620  -0.03384   0.02235  -1.09243
   D77        3.05254   0.00699   0.05518  -0.03165   0.02351   3.07606
   D78        0.94313   0.00702   0.05779  -0.02915   0.02863   0.97176
   D79        0.95107  -0.00066   0.05543  -0.04254   0.01288   0.96395
   D80       -1.16479  -0.00040   0.05441  -0.04035   0.01404  -1.15075
   D81        3.00898  -0.00038   0.05702  -0.03785   0.01916   3.02814
   D82        1.75575  -0.00026  -0.08992   0.05890  -0.03087   1.72489
   D83       -1.27794  -0.00863  -0.12407   0.02920  -0.09486  -1.37279
   D84       -0.44688   0.00371  -0.08840   0.05066  -0.03773  -0.48461
   D85        2.80262  -0.00466  -0.12254   0.02096  -0.10173   2.70090
   D86       -2.48715   0.00517  -0.08539   0.05388  -0.03146  -2.51861
   D87        0.76235  -0.00320  -0.11954   0.02417  -0.09545   0.66690
   D88        1.74752   0.00020  -0.14676   0.11798  -0.02883   1.71868
   D89       -2.48064   0.00083  -0.13839   0.11089  -0.02762  -2.50826
   D90       -0.37291   0.00174  -0.15128   0.12758  -0.02386  -0.39677
   D91       -0.35232  -0.00087  -0.16268   0.12397  -0.03854  -0.39086
   D92        1.70271  -0.00024  -0.15431   0.11689  -0.03733   1.66538
   D93       -2.47275   0.00067  -0.16720   0.13357  -0.03357  -2.50631
   D94       -2.42040  -0.00062  -0.15525   0.11974  -0.03544  -2.45585
   D95       -0.36537   0.00000  -0.14688   0.11265  -0.03423  -0.39961
   D96        1.74235   0.00092  -0.15977   0.12934  -0.03047   1.71188
   D97       -1.16984  -0.00017   0.01419  -0.02087  -0.00667  -1.17651
   D98        1.02020  -0.00216   0.01464  -0.02140  -0.00672   1.01348
   D99        3.05742  -0.00026   0.01875  -0.02278  -0.00401   3.05341
   D100       3.01098   0.00108  -0.00292  -0.00238  -0.00532   3.00566
   D101      -1.08217  -0.00091  -0.00246  -0.00290  -0.00537  -1.08754
   D102       0.95505   0.00099   0.00164  -0.00429  -0.00266   0.95239
   D103       0.88539   0.00038   0.01167  -0.01962  -0.00797   0.87742
   D104       3.07543  -0.00161   0.01212  -0.02014  -0.00803   3.06740
   D105      -1.17054   0.00028   0.01622  -0.02153  -0.00531  -1.17585
   D106      -1.02958   0.00003   0.01816  -0.01114   0.00703  -1.02254
   D107      -3.11866   0.00004   0.01781  -0.00966   0.00815  -3.11051
   D108       1.07739   0.00014   0.01818  -0.00927   0.00892   1.08631
   D109       1.10350   0.00007   0.01777  -0.01344   0.00433   1.10783
   D110      -0.98559   0.00008   0.01741  -0.01196   0.00545  -0.98014
   D111      -3.07272   0.00017   0.01778  -0.01157   0.00621  -3.06651
   D112      -3.08115  -0.00036   0.01391  -0.01378   0.00013  -3.08102
   D113       1.11295  -0.00035   0.01356  -0.01230   0.00125   1.11420
   D114      -0.97418  -0.00025   0.01393  -0.01191   0.00201  -0.97217
   D115       0.97003  -0.00006   0.01419  -0.01092   0.00327   0.97330
   D116      -1.13838  -0.00008   0.01493  -0.01089   0.00404  -1.13434
   D117       3.05551  -0.00004   0.01495  -0.01059   0.00436   3.05987
   D118      -1.13622  -0.00025   0.01123  -0.01038   0.00085  -1.13537
   D119       3.03856  -0.00027   0.01197  -0.01035   0.00162   3.04017
   D120       0.94926  -0.00023   0.01199  -0.01005   0.00194   0.95120
   D121       3.06120   0.00009   0.01455  -0.01276   0.00179   3.06299
   D122       0.95279   0.00008   0.01529  -0.01273   0.00255   0.95535
   D123      -1.13650   0.00011   0.01531  -0.01243   0.00288  -1.13362
   D124      -0.98334   0.00007   0.05171  -0.03554   0.01615  -0.96719
   D125       1.17779  -0.00045   0.04919  -0.03335   0.01584   1.19363
   D126      -3.08123   0.00019   0.04993  -0.03344   0.01650  -3.06472
   D127       3.12542   0.00082   0.05586  -0.04092   0.01493   3.14035
   D128      -0.99664   0.00031   0.05335  -0.03874   0.01461  -0.98202
   D129       1.02753   0.00095   0.05409  -0.03882   0.01528   1.04281
   D130       1.10750  -0.00056   0.05206  -0.04102   0.01104   1.11854
   D131      -3.01455  -0.00107   0.04955  -0.03883   0.01072  -3.00383
   D132      -0.99038  -0.00043   0.05028  -0.03892   0.01138  -0.97900
   D133      -1.42808  -0.00029  -0.01651   0.01501  -0.00149  -1.42957
   D134       1.72006  -0.00032  -0.01578   0.01324  -0.00253   1.71752
   D135       2.71181   0.00004  -0.01660   0.01329  -0.00331   2.70849
   D136      -0.42324   0.00001  -0.01588   0.01152  -0.00436  -0.42760
   D137       0.65012   0.00019  -0.01457   0.01331  -0.00127   0.64885
   D138      -2.48493   0.00015  -0.01384   0.01154  -0.00231  -2.48724
   D139       0.83212  -0.00174   0.01783  -0.02508  -0.00719   0.82493
   D140       2.91824  -0.00123   0.02245  -0.02743  -0.00494   2.91329
   D141      -1.29523  -0.00064   0.02309  -0.02784  -0.00476  -1.29999
   D142      -1.29968  -0.00012   0.02303  -0.02174   0.00131  -1.29836
   D143       0.78643   0.00038   0.02765  -0.02409   0.00357   0.79000
   D144       2.85615   0.00098   0.02829  -0.02450   0.00375   2.85990
   D145       2.93303   0.00047   0.02009  -0.01835   0.00180   2.93483
   D146      -1.26404   0.00098   0.02471  -0.02070   0.00405  -1.25999
   D147       0.80567   0.00157   0.02535  -0.02110   0.00424   0.80991
   D148      -0.83481   0.00073  -0.02987   0.03197   0.00202  -0.83279
   D149      -2.94487  -0.00004  -0.03187   0.03377   0.00180  -2.94307
   D150       1.29524  -0.00010  -0.03681   0.03692   0.00010   1.29534
   D151      -2.92054   0.00054  -0.03335   0.03401   0.00060  -2.91995
   D152       1.25258  -0.00023  -0.03535   0.03581   0.00038   1.25295
   D153      -0.79049  -0.00030  -0.04029   0.03895  -0.00132  -0.79182
   D154       1.28908   0.00221  -0.03458   0.03858   0.00399   1.29307
   D155      -0.82099   0.00144  -0.03658   0.04038   0.00377  -0.81722
   D156      -2.86406   0.00137  -0.04152   0.04353   0.00207  -2.86199
   D157      -1.24596  -0.00069  -0.03892   0.04114   0.00222  -1.24374
   D158       1.91948  -0.00081  -0.03715   0.03678  -0.00037   1.91911
   D159       2.89034  -0.00002  -0.03632   0.03708   0.00075   2.89110
   D160      -0.22740  -0.00014  -0.03455   0.03272  -0.00184  -0.22924
   D161       0.82542   0.00090  -0.03309   0.03791   0.00483   0.83024
   D162      -2.29232   0.00078  -0.03132   0.03355   0.00224  -2.29009
   D163      -3.13490  -0.00003  -0.00027  -0.00052  -0.00079  -3.13569
   D164       0.00690  -0.00004  -0.00013  -0.00074  -0.00086   0.00604
   D165       0.00022   0.00000  -0.00099   0.00124   0.00025   0.00047
   D166      -3.14116  -0.00001  -0.00085   0.00102   0.00017  -3.14100
   D167       3.13617   0.00003  -0.00024   0.00102   0.00078   3.13695
   D168      -0.00035  -0.00004   0.00088  -0.00114  -0.00026  -0.00062
   D169       0.00105   0.00000   0.00048  -0.00073  -0.00025   0.00080
   D170      -3.13547  -0.00007   0.00160  -0.00289  -0.00129  -3.13676
   D171      -3.11468  -0.00014  -0.00089  -0.00239  -0.00328  -3.11796
   D172       0.03759  -0.00020  -0.00083  -0.00289  -0.00372   0.03388
   D173       0.00337  -0.00003  -0.00265   0.00194  -0.00072   0.00266
   D174      -3.12754  -0.00009  -0.00259   0.00144  -0.00115  -3.12869
   D175       3.11323   0.00016   0.00087   0.00236   0.00322   3.11645
   D176      -0.02455   0.00004   0.00065   0.00294   0.00359  -0.02096
   D177      -0.00479   0.00004   0.00262  -0.00195   0.00067  -0.00412
   D178       3.14062  -0.00007   0.00241  -0.00137   0.00104  -3.14153
   D179       2.75416   0.00000   0.03808  -0.06147  -0.02332   2.73084
   D180       0.68761  -0.00018   0.04437  -0.06867  -0.02426   0.66336
   D181      -1.39290   0.00026   0.04711  -0.07022  -0.02313  -1.41603
   D182      -0.42537  -0.00003   0.03088  -0.01085   0.02004  -0.40533
   D183      -2.49191  -0.00021   0.03717  -0.01805   0.01910  -2.47281
   D184       1.71076   0.00023   0.03991  -0.01961   0.02022   1.73099
   D185      -0.00108   0.00000   0.00066  -0.00078  -0.00012  -0.00120
   D186       3.14025   0.00000   0.00063  -0.00086  -0.00023   3.14002
   D187       3.14030   0.00000   0.00052  -0.00055  -0.00004   3.14026
   D188      -0.00155   0.00000   0.00049  -0.00064  -0.00016  -0.00170
   D189      -0.00146   0.00001   0.00036  -0.00024   0.00012  -0.00134
   D190       3.13999  -0.00002   0.00093  -0.00118  -0.00026   3.13974
   D191       3.13506   0.00007  -0.00076   0.00192   0.00117   3.13623
   D192      -0.00667   0.00004  -0.00019   0.00098   0.00079  -0.00588
   D193       0.00101  -0.00002   0.00083  -0.00085  -0.00001   0.00100
   D194      -3.13922  -0.00001   0.00157  -0.00188  -0.00032  -3.13954
   D195       3.13187   0.00005   0.00078  -0.00035   0.00043   3.13230
   D196      -0.00837   0.00006   0.00151  -0.00139   0.00012  -0.00824
   D197       0.00183  -0.00002  -0.00077   0.00088   0.00011   0.00194
   D198      -3.13879  -0.00004  -0.00091   0.00106   0.00015  -3.13864
   D199       3.13960   0.00010  -0.00056   0.00030  -0.00026   3.13934
   D200      -0.00102   0.00008  -0.00069   0.00047  -0.00022  -0.00124
   D201       0.00067   0.00000   0.00019  -0.00020  -0.00001   0.00066
   D202      -3.14116   0.00000  -0.00025   0.00007  -0.00018  -3.14133
   D203      -3.14066   0.00000   0.00022  -0.00011   0.00011  -3.14056
   D204       0.00069   0.00000  -0.00022   0.00016  -0.00006   0.00063
   D205       0.00060  -0.00001  -0.00070   0.00071   0.00001   0.00061
   D206      -3.14076   0.00000  -0.00026   0.00043   0.00017  -3.14058
   D207      -3.14086   0.00002  -0.00127   0.00166   0.00039  -3.14047
   D208       0.00097   0.00003  -0.00083   0.00138   0.00055   0.00152
   D209      -0.00401   0.00004   0.00104  -0.00025   0.00079  -0.00322
   D210       3.13918   0.00001   0.00107  -0.00177  -0.00070   3.13848
   D211       3.13622   0.00004   0.00031   0.00079   0.00110   3.13732
   D212      -0.00378   0.00000   0.00034  -0.00073  -0.00039  -0.00417
   D213       0.00259  -0.00003  -0.00107   0.00023  -0.00084   0.00175
   D214      -3.14059   0.00001  -0.00110   0.00175   0.00065  -3.13994
   D215      -3.13997   0.00000  -0.00093   0.00005  -0.00088  -3.14086
   D216       0.00003   0.00003  -0.00096   0.00157   0.00061   0.00063
   D217      -3.07115   0.00021  -0.00199   0.00353   0.00147  -3.06968
   D218       0.06068   0.00026  -0.00631   0.01284   0.00651   0.06719
   D219      -0.01652   0.00001  -0.00666   0.00995   0.00326  -0.01326
   D220       3.11531   0.00005  -0.01099   0.01926   0.00831   3.12362
   D221       3.06856   0.00013   0.00335  -0.00343  -0.00014   3.06843
   D222      -0.07356   0.00035   0.00492   0.00085   0.00572  -0.06784
   D223       0.01962   0.00006   0.00695  -0.00928  -0.00232   0.01731
   D224      -3.12250   0.00027   0.00852  -0.00500   0.00354  -3.11895
   D225       0.00162  -0.00005   0.00200  -0.00421  -0.00225  -0.00062
   D226      -3.13801  -0.00004  -0.00001  -0.00059  -0.00062  -3.13863
   D227      -3.13006  -0.00013   0.00622  -0.01361  -0.00738  -3.13744
   D228       0.01350  -0.00012   0.00422  -0.00999  -0.00576   0.00774
   D229      -2.94075  -0.00021   0.02722  -0.02859  -0.00137  -2.94211
   D230       1.23821   0.00022   0.03068  -0.03185  -0.00117   1.23704
   D231      -0.83481  -0.00037   0.02351  -0.02332   0.00019  -0.83462
   D232       0.19079  -0.00015   0.02286  -0.01903   0.00383   0.19462
   D233      -1.91344   0.00028   0.02632  -0.02229   0.00403  -1.90941
   D234       2.29672  -0.00030   0.01915  -0.01376   0.00540   2.30212
   D235      -0.00804  -0.00007  -0.00253   0.00289   0.00035  -0.00769
   D236       3.13862   0.00004  -0.00249   0.00513   0.00264   3.14126
   D237       3.13407  -0.00028  -0.00408  -0.00134  -0.00543   3.12865
   D238      -0.00244  -0.00017  -0.00403   0.00089  -0.00314  -0.00558
   D239       2.79376  -0.00003  -0.01325   0.01309  -0.00017   2.79359
   D240       0.69149   0.00021  -0.01281   0.01401   0.00120   0.69269
   D241      -1.39556  -0.00019  -0.01344   0.01255  -0.00090  -1.39646
   D242      -0.34837   0.00019  -0.01166   0.01748   0.00582  -0.34255
   D243      -2.45065   0.00043  -0.01121   0.01840   0.00719  -2.44346
   D244       1.74548   0.00003  -0.01185   0.01694   0.00509   1.75058
   D245       0.00957   0.00009   0.00231  -0.00189   0.00043   0.01000
   D246      -3.12981  -0.00010  -0.00113  -0.00058  -0.00170  -3.13150
   D247      -3.13399   0.00008   0.00433  -0.00554  -0.00121  -3.13520
   D248       0.00981  -0.00012   0.00089  -0.00422  -0.00333   0.00648
   D249      -0.00630  -0.00003  -0.00203   0.00256   0.00054  -0.00576
   D250       3.13308   0.00017   0.00141   0.00125   0.00266   3.13575
   D251       3.13019  -0.00014  -0.00207   0.00032  -0.00175   3.12844
   D252      -0.01361   0.00006   0.00137  -0.00100   0.00037  -0.01325
         Item               Value     Threshold  Converged?
 Maximum Force            0.018276     0.000450     NO 
 RMS     Force            0.002227     0.000300     NO 
 Maximum Displacement     1.165291     0.001800     NO 
 RMS     Displacement     0.194173     0.001200     NO 
 Predicted change in Energy=-3.453190D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        0.063746    0.168674   -1.195581
      2          8           0        3.510015   -0.270187   -2.334442
      3          8           0        3.611797    2.627082    1.558037
      4          8           0       -2.551624   -2.373196    1.931616
      5          8           0       -3.809309    0.921423    1.521937
      6          7           0        3.268165    2.564045   -0.734500
      7          7           0        3.110351   -0.464454   -0.081860
      8          7           0       -2.267785   -0.927449    0.170917
      9          7           0        2.074465    4.097031    0.704789
     10          6           0        2.589878   -1.812740   -0.151261
     11          6           0        4.296991    1.561725   -0.897878
     12          6           0        1.251642   -1.923254   -0.903987
     13          6           0        0.154890   -1.000784   -0.391242
     14          6           0        5.333804    1.857634   -2.006357
     15          6           0       -1.239064   -1.705073   -0.472181
     16          6           0        2.476552   -2.452916    1.245943
     17          6           0        3.622347    0.187642   -1.179462
     18          6           0        2.579230    3.065245   -1.897062
     19          6           0        1.229340    3.702270   -1.573270
     20          6           0       -1.549177   -2.014854   -1.951135
     21          6           0        3.018962    3.086537    0.545645
     22          6           0        6.418372    0.797570   -1.968368
     23          6           0        5.951389    3.225905   -1.826105
     24          6           0        1.357857    4.664850   -0.394916
     25          6           0        3.800943   -2.564509    1.913057
     26          6           0       -2.857658   -2.690495   -2.147666
     27          6           0       -2.866046   -1.316058    1.344755
     28          6           0        4.657037   -3.630283    1.610211
     29          6           0        4.202514   -1.609508    2.854929
     30          6           0       -3.031985   -4.022604   -1.751288
     31          6           0       -3.923067   -2.014213   -2.753252
     32          6           0       -3.950283   -0.431879    1.970664
     33          6           0        5.895052   -3.738787    2.240428
     34          6           0        5.442267   -1.719559    3.482895
     35          6           0        6.290245   -2.783804    3.177420
     36          6           0       -4.249603   -4.666471   -1.960408
     37          6           0       -5.140217   -2.660771   -2.963252
     38          6           0       -5.305864   -3.987744   -2.568566
     39          6           0       -5.013921    1.591204    1.320842
     40          6           0       -5.253760    2.050212    0.008167
     41          6           0       -5.890467    1.887822    2.378152
     42          6           0       -6.405028    2.805279   -0.235645
     43          6           0       -7.034937    2.642126    2.093673
     44          6           0       -4.297502    1.737484   -1.074352
     45          6           0       -5.623477    1.430208    3.758361
     46          6           0       -7.290519    3.092639    0.800224
     47          1           0        3.326268   -2.438118   -0.751021
     48          1           0        4.867816    1.498997    0.080868
     49          1           0        1.433396   -1.677452   -1.986860
     50          1           0        0.927207   -2.994038   -0.834504
     51          1           0        0.354101   -0.700817    0.676591
     52          1           0        4.810825    1.805830   -3.001656
     53          1           0       -1.145655   -2.684469    0.088001
     54          1           0        3.217853   -0.056956    0.818152
     55          1           0        1.775703   -1.860991    1.892180
     56          1           0        2.031673   -3.475069    1.111256
     57          1           0        3.229134    3.832056   -2.411402
     58          1           0        2.428699    2.205329   -2.615397
     59          1           0        0.873897    4.270392   -2.469322
     60          1           0        0.474792    2.906569   -1.337643
     61          1           0       -1.501992   -1.064922   -2.546779
     62          1           0       -0.727656   -2.687385   -2.321265
     63          1           0        6.918982    0.776964   -0.970164
     64          1           0        7.190292    1.019860   -2.744377
     65          1           0        5.986919   -0.211585   -2.177839
     66          1           0        6.404618    3.321334   -0.809538
     67          1           0        5.193039    4.034734   -1.953457
     68          1           0        6.755331    3.380358   -2.587031
     69          1           0        0.330160    4.962028   -0.039004
     70          1           0        1.880005    5.604705   -0.746672
     71          1           0       -2.459379   -0.024303   -0.201181
     72          1           0        1.967744    4.474899    1.614590
     73          1           0        0.923087    0.606368   -1.157833
     74          1           0        4.347532   -4.383880    0.870424
     75          1           0        3.535566   -0.769675    3.104289
     76          1           0       -2.202847   -4.557162   -1.263411
     77          1           0       -3.795779   -0.967240   -3.068260
     78          1           0       -3.827797   -0.444166    3.087703
     79          1           0       -4.945520   -0.861516    1.692026
     80          1           0        6.560984   -4.580048    1.997801
     81          1           0        5.750302   -0.963544    4.220438
     82          1           0        7.267473   -2.870268    3.673937
     83          1           0       -4.377115   -5.712176   -1.643769
     84          1           0       -5.970689   -2.121891   -3.442420
     85          1           0       -6.265383   -4.497524   -2.735839
     86          1           0       -6.608442    3.168525   -1.254168
     87          1           0       -7.735570    2.885920    2.906675
     88          1           0       -4.516639    2.335026   -1.992755
     89          1           0       -4.350606    0.648616   -1.333628
     90          1           0       -3.252050    1.958031   -0.740514
     91          1           0       -6.199503    2.036964    4.499754
     92          1           0       -4.533637    1.520134    3.996332
     93          1           0       -5.922310    0.357301    3.875496
     94          1           0       -8.198645    3.679371    0.596973
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0824119      0.0382835      0.0335534
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3185.5542674655 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.241920176555     A.U. after   24 cycles
             Convg  =    0.5197D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.003016085    0.000745349   -0.000150669
      2        8           0.000728213    0.001303842   -0.000319116
      3        8           0.000526393   -0.001283954    0.000740619
      4        8           0.000743134   -0.002032226   -0.001021588
      5        8           0.000748464    0.002230719   -0.003749047
      6        7          -0.001340520   -0.000027519   -0.000500551
      7        7           0.000253454   -0.001853557    0.001730705
      8        7           0.001869135   -0.001936563   -0.000596597
      9        7          -0.002017945    0.002116491   -0.001673147
     10        6          -0.000539935    0.000347948    0.000845318
     11        6           0.000403699   -0.000293887    0.000760916
     12        6          -0.001219185    0.002657739   -0.001213373
     13        6           0.001092685   -0.003554569   -0.001480554
     14        6           0.000516132   -0.001221943   -0.002346291
     15        6          -0.001310823    0.001803748    0.001919309
     16        6           0.000031483   -0.000989326    0.000379692
     17        6          -0.000808165    0.000192287   -0.000169078
     18        6           0.000416503   -0.001773007    0.000085128
     19        6          -0.000267085   -0.000262594    0.000436554
     20        6           0.000574242    0.001111125   -0.001129437
     21        6           0.000630272    0.001226756   -0.001979581
     22        6           0.000089538   -0.000146820    0.000181824
     23        6          -0.000324153    0.001215147    0.000707960
     24        6           0.001404546   -0.001030579    0.001844517
     25        6          -0.000407600    0.000758931   -0.000137369
     26        6           0.000114181   -0.000343046   -0.000452851
     27        6           0.001471807    0.006776290    0.001300742
     28        6           0.000168610   -0.000370148    0.000084281
     29        6           0.000174169   -0.000290426    0.000046553
     30        6           0.000012052    0.000399518   -0.000255018
     31        6          -0.000122346    0.000255811    0.000495821
     32        6          -0.002198955   -0.002345478    0.002406539
     33        6          -0.000214115    0.000107810   -0.000042374
     34        6          -0.000018477    0.000111882   -0.000049022
     35        6           0.000035432   -0.000202642    0.000084877
     36        6          -0.000135325   -0.000107889   -0.000205889
     37        6           0.000149911   -0.000081559    0.000097102
     38        6          -0.000015134    0.000152735    0.000069459
     39        6          -0.002665597   -0.002273096    0.001966603
     40        6           0.002805995    0.000171003   -0.002655023
     41        6          -0.000995271   -0.000801198    0.002224078
     42        6          -0.001923130    0.000857767   -0.000198580
     43        6           0.000565096   -0.000258078    0.000768076
     44        6          -0.001133994   -0.000497333    0.001371208
     45        6          -0.000011602    0.000667078   -0.001181281
     46        6           0.000878654    0.000235468   -0.001430400
     47        1           0.000460448    0.000904117    0.000531988
     48        1          -0.001284974    0.000268023   -0.000647423
     49        1          -0.001411853   -0.000106559   -0.000422419
     50        1           0.000428646   -0.000237294    0.000341881
     51        1          -0.000393168   -0.000105558    0.000080737
     52        1          -0.000205882   -0.000250298    0.000430919
     53        1          -0.000200240   -0.000191068   -0.000346482
     54        1          -0.000203155    0.001514088   -0.000683800
     55        1           0.000501778   -0.000853243    0.000176127
     56        1           0.000158879    0.000210901   -0.000330680
     57        1           0.000235643   -0.000483682    0.000567684
     58        1           0.000393830    0.000258571   -0.000182500
     59        1          -0.000071917   -0.000684407   -0.000113420
     60        1          -0.000274463   -0.000509259    0.000117766
     61        1           0.000338159    0.000249965    0.000066777
     62        1           0.000341175   -0.000674935    0.000898662
     63        1           0.000064531   -0.000107639    0.000105549
     64        1           0.000048999   -0.000187242   -0.000019640
     65        1           0.000236364    0.000013632   -0.000010496
     66        1           0.000122607   -0.000016419    0.000076423
     67        1          -0.000489150    0.000909549    0.000554610
     68        1           0.000050329    0.000070347   -0.000055989
     69        1           0.000170796   -0.000210565   -0.000024717
     70        1          -0.000111114   -0.000015191   -0.000404613
     71        1          -0.000469063   -0.000226359   -0.000652892
     72        1           0.000377716   -0.000057397   -0.000175378
     73        1          -0.000813603   -0.000082203    0.000534814
     74        1           0.000003456    0.000172443   -0.000060531
     75        1          -0.000079538    0.000130089    0.000019416
     76        1          -0.000023568   -0.000240959    0.000111571
     77        1           0.000108567   -0.000150866   -0.000222232
     78        1          -0.001237281    0.000105654    0.001241750
     79        1           0.000934609   -0.000701948   -0.000209065
     80        1           0.000083952    0.000022994    0.000014153
     81        1           0.000000258   -0.000058508    0.000007626
     82        1          -0.000011055    0.000022161   -0.000024468
     83        1           0.000066045    0.000014357    0.000052453
     84        1          -0.000041525    0.000036119   -0.000035421
     85        1           0.000031024   -0.000028344   -0.000038438
     86        1           0.000238400    0.000069833   -0.000022635
     87        1          -0.000016401   -0.000105560   -0.000051385
     88        1          -0.000308170   -0.000003360   -0.000123207
     89        1           0.000272590   -0.000555038    0.000309727
     90        1           0.000217274    0.000257096    0.000783757
     91        1          -0.000037201    0.000002138   -0.000087886
     92        1           0.000008421    0.000002711    0.000018166
     93        1          -0.000055265    0.000065468    0.000139323
     94        1           0.000093564    0.000075641    0.000152789
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006776290 RMS     0.000991132

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005305758 RMS     0.000867724
 Search for a local minimum.
 Step number   9 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    8    9
 DE= -1.71D-03 DEPred=-3.45D-03 R= 4.97D-01
 Trust test= 4.97D-01 RLast= 3.19D-01 DXMaxT set to 7.14D-01
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00042   0.00229   0.00230   0.00230   0.00230
     Eigenvalues ---    0.00237   0.00241   0.00242   0.00264   0.00326
     Eigenvalues ---    0.00418   0.00429   0.00473   0.00483   0.00554
     Eigenvalues ---    0.00579   0.00666   0.00754   0.00816   0.00975
     Eigenvalues ---    0.01298   0.01337   0.01353   0.01388   0.01428
     Eigenvalues ---    0.01434   0.01438   0.01454   0.01484   0.01516
     Eigenvalues ---    0.01575   0.01914   0.02006   0.02070   0.02081
     Eigenvalues ---    0.02098   0.02118   0.02128   0.02144   0.02150
     Eigenvalues ---    0.02151   0.02153   0.02156   0.02162   0.02169
     Eigenvalues ---    0.02172   0.02173   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02182   0.02187   0.02188
     Eigenvalues ---    0.02188   0.02333   0.02444   0.03124   0.03334
     Eigenvalues ---    0.03442   0.03549   0.03749   0.03779   0.03864
     Eigenvalues ---    0.03963   0.04079   0.04362   0.04400   0.04531
     Eigenvalues ---    0.04746   0.04837   0.04925   0.04980   0.05034
     Eigenvalues ---    0.05088   0.05212   0.05393   0.05405   0.05434
     Eigenvalues ---    0.05493   0.05561   0.05597   0.05605   0.05621
     Eigenvalues ---    0.05675   0.05929   0.05987   0.06760   0.06959
     Eigenvalues ---    0.07078   0.07119   0.07220   0.07366   0.07485
     Eigenvalues ---    0.07551   0.07953   0.08140   0.08543   0.09102
     Eigenvalues ---    0.09304   0.09418   0.09444   0.10929   0.11454
     Eigenvalues ---    0.12279   0.12331   0.12708   0.12855   0.13952
     Eigenvalues ---    0.15784   0.15882   0.15912   0.15971   0.15985
     Eigenvalues ---    0.15996   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16002
     Eigenvalues ---    0.16005   0.16011   0.16033   0.16098   0.16268
     Eigenvalues ---    0.16447   0.16531   0.16875   0.17239   0.18436
     Eigenvalues ---    0.18951   0.19161   0.19703   0.19790   0.20239
     Eigenvalues ---    0.21669   0.21806   0.21965   0.21996   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22084   0.22122   0.22333
     Eigenvalues ---    0.22968   0.23392   0.23477   0.23512   0.23877
     Eigenvalues ---    0.24471   0.24662   0.24960   0.24972   0.24977
     Eigenvalues ---    0.24992   0.24994   0.24999   0.25014   0.25161
     Eigenvalues ---    0.25256   0.25678   0.26653   0.26860   0.27072
     Eigenvalues ---    0.27455   0.27699   0.27907   0.28311   0.28330
     Eigenvalues ---    0.28613   0.28773   0.29822   0.29917   0.30137
     Eigenvalues ---    0.30573   0.31362   0.32286   0.32687   0.34113
     Eigenvalues ---    0.34181   0.34471   0.34508   0.34558   0.34603
     Eigenvalues ---    0.34645   0.34661   0.34695   0.34702   0.34711
     Eigenvalues ---    0.34725   0.34735   0.34740   0.34747   0.34750
     Eigenvalues ---    0.34755   0.34766   0.34774   0.34781   0.34789
     Eigenvalues ---    0.34800   0.34808   0.34815   0.34828   0.34833
     Eigenvalues ---    0.34835   0.34849   0.34870   0.34880   0.34957
     Eigenvalues ---    0.35307   0.35794   0.35878   0.35900   0.35910
     Eigenvalues ---    0.35922   0.35947   0.35968   0.35983   0.35995
     Eigenvalues ---    0.36003   0.36004   0.36025   0.36033   0.36062
     Eigenvalues ---    0.37239   0.38784   0.40760   0.41437   0.41915
     Eigenvalues ---    0.42191   0.42251   0.42332   0.42414   0.43995
     Eigenvalues ---    0.45363   0.45666   0.45937   0.46015   0.46068
     Eigenvalues ---    0.46110   0.46137   0.46170   0.46348   0.46417
     Eigenvalues ---    0.46762   0.46764   0.46878   0.46911   0.47110
     Eigenvalues ---    0.48231   0.49392   0.52673   0.53373   0.55485
     Eigenvalues ---    0.56588   0.59762   0.89815   0.90421   0.92098
     Eigenvalues ---    0.969741000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-3.88673415D-03 EMin= 4.17837720D-04
 Quartic linear search produced a step of -0.32881.
 Iteration  1 RMS(Cart)=  0.31383379 RMS(Int)=  0.00785811
 Iteration  2 RMS(Cart)=  0.03715905 RMS(Int)=  0.00017077
 Iteration  3 RMS(Cart)=  0.00035234 RMS(Int)=  0.00014483
 Iteration  4 RMS(Cart)=  0.00000009 RMS(Int)=  0.00014483
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68773   0.00122  -0.00154   0.00400   0.00247   2.69020
    R2        1.82382   0.00043  -0.00032   0.00162   0.00130   1.82512
    R3        2.35739  -0.00147   0.00002  -0.00109  -0.00108   2.35632
    R4        2.38097  -0.00148   0.00014  -0.00149  -0.00134   2.37963
    R5        2.36088   0.00034   0.00056  -0.00107  -0.00051   2.36037
    R6        2.70743  -0.00200  -0.00090  -0.00441  -0.00532   2.70211
    R7        2.63218  -0.00041  -0.00160   0.00139  -0.00020   2.63197
    R8        2.73183   0.00009   0.00025   0.00195   0.00220   2.73402
    R9        2.72369   0.00213  -0.00012   0.00670   0.00660   2.73028
   R10        2.65496   0.00103  -0.00003   0.00189   0.00189   2.65685
   R11        2.73429  -0.00179  -0.00182   0.00375   0.00193   2.73622
   R12        2.59939  -0.00182  -0.00008  -0.00102  -0.00110   2.59828
   R13        1.87801   0.00136  -0.00008   0.00282   0.00274   1.88075
   R14        2.72314  -0.00032   0.00039  -0.00221  -0.00182   2.72132
   R15        2.59576  -0.00233   0.00050  -0.00455  -0.00404   2.59172
   R16        1.88105  -0.00082   0.00054  -0.00201  -0.00147   1.87958
   R17        2.63106  -0.00039   0.00021  -0.00083  -0.00062   2.63044
   R18        2.70257   0.00304  -0.00009   0.00702   0.00690   2.70947
   R19        1.87256   0.00028   0.00012   0.00047   0.00060   1.87316
   R20        2.90900  -0.00110  -0.00175   0.00062  -0.00114   2.90787
   R21        2.91217  -0.00045  -0.00083  -0.00031  -0.00113   2.91104
   R22        2.14888  -0.00045  -0.00012  -0.00119  -0.00132   2.14756
   R23        2.92222  -0.00032  -0.00016  -0.00171  -0.00187   2.92035
   R24        2.94127  -0.00299  -0.00209   0.00123  -0.00085   2.94041
   R25        2.14442   0.00074  -0.00050   0.00245   0.00195   2.14637
   R26        2.87631   0.00258  -0.00334   0.01322   0.00987   2.88619
   R27        2.12631   0.00006  -0.00108   0.00265   0.00157   2.12788
   R28        2.11840  -0.00026   0.00015  -0.00124  -0.00109   2.11731
   R29        2.95528  -0.00251  -0.00143  -0.00431  -0.00574   2.94954
   R30        2.12956  -0.00026  -0.00021  -0.00014  -0.00035   2.12920
   R31        2.86683  -0.00056  -0.00122   0.00034  -0.00088   2.86594
   R32        2.85722   0.00217   0.00108   0.00337   0.00444   2.86166
   R33        2.12694   0.00044  -0.00065   0.00233   0.00168   2.12861
   R34        2.91498  -0.00118  -0.00223   0.00102  -0.00121   2.91377
   R35        2.13944   0.00041  -0.00064   0.00228   0.00163   2.14107
   R36        2.81024   0.00049  -0.00014   0.00131   0.00117   2.81140
   R37        2.12053   0.00031  -0.00064   0.00221   0.00157   2.12210
   R38        2.12193  -0.00003  -0.00042   0.00077   0.00034   2.12228
   R39        2.88630  -0.00019  -0.00034   0.00248   0.00214   2.88844
   R40        2.13374   0.00025  -0.00045   0.00134   0.00089   2.13462
   R41        2.13641  -0.00044  -0.00070   0.00065  -0.00005   2.13636
   R42        2.88553   0.00091   0.00042   0.00171   0.00210   2.88763
   R43        2.11448   0.00018  -0.00071   0.00212   0.00141   2.11588
   R44        2.11953   0.00023  -0.00029   0.00014  -0.00015   2.11938
   R45        2.80752   0.00026   0.00029  -0.00062  -0.00033   2.80720
   R46        2.12070   0.00021  -0.00055   0.00160   0.00105   2.12175
   R47        2.12474  -0.00033  -0.00039  -0.00005  -0.00044   2.12429
   R48        2.11062  -0.00015  -0.00047   0.00072   0.00025   2.11087
   R49        2.11063  -0.00008  -0.00039   0.00067   0.00029   2.11092
   R50        2.11145  -0.00009  -0.00049   0.00088   0.00038   2.11183
   R51        2.11103  -0.00005  -0.00039   0.00079   0.00039   2.11142
   R52        2.10899  -0.00039  -0.00035  -0.00007  -0.00042   2.10856
   R53        2.11209  -0.00006  -0.00041   0.00079   0.00038   2.11247
   R54        2.13058   0.00023  -0.00078   0.00234   0.00156   2.13213
   R55        2.13773  -0.00036  -0.00034  -0.00024  -0.00058   2.13715
   R56        2.64594  -0.00007  -0.00007  -0.00007  -0.00014   2.64581
   R57        2.64589  -0.00012  -0.00013  -0.00001  -0.00013   2.64576
   R58        2.64698   0.00013  -0.00003   0.00018   0.00016   2.64714
   R59        2.64507   0.00008   0.00001  -0.00003  -0.00001   2.64506
   R60        2.89634  -0.00402   0.00180  -0.01999  -0.01819   2.87816
   R61        2.63319   0.00005   0.00009   0.00002   0.00011   2.63330
   R62        2.07955  -0.00016  -0.00023   0.00012  -0.00010   2.07944
   R63        2.63442   0.00002   0.00006   0.00003   0.00009   2.63451
   R64        2.08069  -0.00007  -0.00029   0.00048   0.00019   2.08088
   R65        2.63269   0.00006   0.00010   0.00002   0.00012   2.63281
   R66        2.07977  -0.00017  -0.00021   0.00007  -0.00014   2.07963
   R67        2.63452  -0.00001   0.00008  -0.00007   0.00001   2.63453
   R68        2.08006  -0.00019  -0.00019   0.00001  -0.00018   2.07988
   R69        2.12368  -0.00115   0.00075  -0.00458  -0.00384   2.11984
   R70        2.11508   0.00098  -0.00051   0.00347   0.00297   2.11804
   R71        2.63623  -0.00010   0.00014  -0.00040  -0.00025   2.63598
   R72        2.07874  -0.00009  -0.00021   0.00025   0.00004   2.07878
   R73        2.63547   0.00001   0.00016  -0.00024  -0.00008   2.63539
   R74        2.07905  -0.00005  -0.00023   0.00038   0.00014   2.07920
   R75        2.07782   0.00003  -0.00025   0.00062   0.00037   2.07819
   R76        2.63630   0.00007   0.00015  -0.00009   0.00005   2.63635
   R77        2.07871  -0.00008  -0.00022   0.00030   0.00008   2.07879
   R78        2.63484   0.00005   0.00018  -0.00021  -0.00002   2.63482
   R79        2.07842  -0.00007  -0.00023   0.00035   0.00012   2.07854
   R80        2.07744   0.00005  -0.00024   0.00066   0.00041   2.07785
   R81        2.66668  -0.00010  -0.00207   0.00243   0.00036   2.66704
   R82        2.65520  -0.00060  -0.00078   0.00080   0.00002   2.65522
   R83        2.64223  -0.00073   0.00040  -0.00259  -0.00219   2.64004
   R84        2.79275   0.00216   0.00093   0.00414   0.00507   2.79783
   R85        2.64542  -0.00002  -0.00037   0.00102   0.00065   2.64607
   R86        2.79377   0.00133  -0.00017   0.00382   0.00366   2.79743
   R87        2.63188   0.00064   0.00013   0.00134   0.00147   2.63334
   R88        2.07931  -0.00004  -0.00013   0.00018   0.00005   2.07936
   R89        2.63296  -0.00175   0.00107  -0.00505  -0.00399   2.62898
   R90        2.07981   0.00001  -0.00026   0.00061   0.00035   2.08016
   R91        2.11155  -0.00018  -0.00020   0.00004  -0.00016   2.11138
   R92        2.11757   0.00003  -0.00045   0.00107   0.00062   2.11819
   R93        2.11536   0.00020  -0.00050   0.00160   0.00110   2.11646
   R94        2.11246  -0.00001  -0.00042   0.00091   0.00049   2.11295
   R95        2.11486   0.00000  -0.00049   0.00109   0.00060   2.11546
   R96        2.11628  -0.00012  -0.00048   0.00080   0.00032   2.11660
   R97        2.07892   0.00009  -0.00026   0.00082   0.00056   2.07948
    A1        1.86891   0.00010  -0.00002  -0.00539  -0.00540   1.86350
    A2        1.99800  -0.00306  -0.00041  -0.00645  -0.00687   1.99113
    A3        2.08303  -0.00058  -0.00093   0.00458   0.00329   2.08632
    A4        2.07952   0.00052   0.00117  -0.00216  -0.00135   2.07817
    A5        2.11863   0.00013   0.00026  -0.00004  -0.00006   2.11858
    A6        2.13811  -0.00030  -0.00098   0.00489   0.00397   2.14208
    A7        2.05380   0.00032   0.00121  -0.00417  -0.00290   2.05089
    A8        2.08058   0.00005   0.00145  -0.00453  -0.00302   2.07757
    A9        2.14079   0.00173   0.00118   0.00497   0.00615   2.14694
   A10        2.04901  -0.00082  -0.00032  -0.00242  -0.00274   2.04628
   A11        2.08553  -0.00091  -0.00051  -0.00283  -0.00334   2.08219
   A12        2.14145   0.00012   0.00020   0.00088   0.00104   2.14249
   A13        2.04291   0.00014  -0.00024   0.00150   0.00125   2.04416
   A14        2.09513  -0.00023   0.00016  -0.00147  -0.00133   2.09380
   A15        1.98565  -0.00178  -0.00478   0.01002   0.00517   1.99083
   A16        1.94987   0.00163   0.00032  -0.00203  -0.00172   1.94815
   A17        1.88055  -0.00025   0.00155  -0.00561  -0.00408   1.87646
   A18        1.92792  -0.00085   0.00162  -0.01538  -0.01374   1.91418
   A19        1.83960   0.00131   0.00053   0.00810   0.00866   1.84826
   A20        1.87272   0.00003   0.00110   0.00574   0.00689   1.87961
   A21        2.01032   0.00363   0.00269   0.00198   0.00471   2.01503
   A22        1.90083  -0.00466  -0.00640   0.01227   0.00588   1.90671
   A23        1.87428   0.00116   0.00183   0.00945   0.01131   1.88559
   A24        1.90696   0.00079  -0.00196  -0.00248  -0.00449   1.90248
   A25        1.86666  -0.00153   0.00128  -0.00496  -0.00378   1.86288
   A26        1.90210   0.00062   0.00291  -0.01792  -0.01508   1.88702
   A27        2.00223  -0.00321  -0.00025  -0.01089  -0.01113   1.99110
   A28        1.89071   0.00009  -0.00198   0.00021  -0.00173   1.88897
   A29        1.86488   0.00158   0.00220   0.00097   0.00317   1.86805
   A30        1.88409   0.00187  -0.00070   0.01121   0.01051   1.89460
   A31        1.92782   0.00049  -0.00070   0.00298   0.00227   1.93009
   A32        1.89132  -0.00080   0.00152  -0.00459  -0.00310   1.88822
   A33        1.93263   0.00122   0.00149   0.00250   0.00388   1.93651
   A34        1.85866  -0.00170   0.00033  -0.00157  -0.00139   1.85727
   A35        1.90534   0.00002   0.00015  -0.00431  -0.00417   1.90117
   A36        1.93039   0.00248  -0.00276   0.02364   0.02086   1.95126
   A37        1.93174  -0.00177   0.00064  -0.01508  -0.01440   1.91734
   A38        1.90338  -0.00027   0.00013  -0.00497  -0.00476   1.89862
   A39        1.90464  -0.00089  -0.00155  -0.00448  -0.00601   1.89863
   A40        1.94076   0.00184   0.00128   0.00845   0.00969   1.95044
   A41        1.88971  -0.00018  -0.00089   0.00359   0.00264   1.89235
   A42        1.91490  -0.00102   0.00048  -0.00719  -0.00668   1.90821
   A43        1.89882   0.00021  -0.00059  -0.00462  -0.00519   1.89363
   A44        1.91438   0.00003   0.00119   0.00408   0.00521   1.91959
   A45        1.95002  -0.00077   0.00003  -0.00725  -0.00721   1.94281
   A46        1.97440  -0.00207   0.00071  -0.01806  -0.01733   1.95707
   A47        1.88064   0.00097   0.00097   0.00390   0.00492   1.88556
   A48        1.89575   0.00226  -0.00125   0.01095   0.00957   1.90532
   A49        1.86548  -0.00049  -0.00053   0.00391   0.00332   1.86880
   A50        1.89363   0.00016   0.00002   0.00807   0.00806   1.90169
   A51        1.95239   0.00001   0.00043  -0.00081  -0.00038   1.95202
   A52        1.92724  -0.00065  -0.00045  -0.00456  -0.00500   1.92224
   A53        1.87395   0.00045  -0.00040   0.00377   0.00337   1.87733
   A54        1.91502   0.00062  -0.00046   0.00575   0.00529   1.92031
   A55        1.91595  -0.00021   0.00023  -0.00047  -0.00024   1.91571
   A56        1.87739  -0.00022   0.00067  -0.00390  -0.00323   1.87415
   A57        2.13090   0.00128   0.00043   0.00022   0.00086   2.13176
   A58        2.13002   0.00024  -0.00143   0.00246   0.00123   2.13125
   A59        2.02139  -0.00157  -0.00045  -0.00199  -0.00224   2.01915
   A60        1.97849   0.00026  -0.00077   0.00660   0.00585   1.98434
   A61        1.90546   0.00042   0.00195  -0.00084   0.00112   1.90659
   A62        1.88773  -0.00008  -0.00129   0.00186   0.00055   1.88828
   A63        1.89866  -0.00014   0.00113  -0.00768  -0.00655   1.89212
   A64        1.91161  -0.00050  -0.00112   0.00179   0.00064   1.91226
   A65        1.87943   0.00004   0.00012  -0.00207  -0.00196   1.87748
   A66        1.93064  -0.00024  -0.00038   0.00123   0.00082   1.93147
   A67        1.89943  -0.00001   0.00003  -0.00052  -0.00048   1.89894
   A68        1.92114  -0.00012  -0.00106   0.00510   0.00404   1.92518
   A69        1.90144   0.00048  -0.00043   0.00383   0.00340   1.90484
   A70        1.91954   0.00020   0.00140  -0.00401  -0.00260   1.91695
   A71        1.89097  -0.00030   0.00045  -0.00575  -0.00531   1.88567
   A72        1.97711  -0.00113   0.00057  -0.00709  -0.00654   1.97056
   A73        1.90757  -0.00025  -0.00083  -0.00344  -0.00430   1.90327
   A74        1.86382   0.00138  -0.00123   0.01503   0.01382   1.87764
   A75        1.93026   0.00053   0.00025  -0.00163  -0.00143   1.92883
   A76        1.90492  -0.00013   0.00048   0.00018   0.00067   1.90560
   A77        1.87640  -0.00034   0.00073  -0.00228  -0.00154   1.87486
   A78        2.10955   0.00017   0.00054  -0.00115  -0.00063   2.10892
   A79        2.08519   0.00012  -0.00019   0.00043   0.00023   2.08541
   A80        2.08793  -0.00030  -0.00050   0.00066   0.00020   2.08813
   A81        1.93447  -0.00002   0.00003  -0.00011  -0.00007   1.93439
   A82        1.91519   0.00000   0.00045  -0.00075  -0.00031   1.91489
   A83        1.92875  -0.00030  -0.00067  -0.00103  -0.00169   1.92705
   A84        1.89110   0.00010   0.00005   0.00131   0.00136   1.89246
   A85        1.90072   0.00012  -0.00016   0.00056   0.00040   1.90112
   A86        1.89271   0.00011   0.00031   0.00007   0.00038   1.89309
   A87        1.92998  -0.00013   0.00011  -0.00104  -0.00093   1.92905
   A88        1.94411   0.00159   0.00074   0.00699   0.00773   1.95183
   A89        1.91527  -0.00023   0.00019  -0.00240  -0.00222   1.91305
   A90        1.89401  -0.00058  -0.00026  -0.00071  -0.00097   1.89304
   A91        1.89220  -0.00004  -0.00044  -0.00081  -0.00126   1.89094
   A92        1.88697  -0.00067  -0.00039  -0.00222  -0.00261   1.88436
   A93        1.96631  -0.00001  -0.00019   0.00155   0.00132   1.96763
   A94        1.89511   0.00005  -0.00009   0.00097   0.00091   1.89601
   A95        1.91525  -0.00010   0.00064  -0.00255  -0.00192   1.91334
   A96        1.91033  -0.00015   0.00023  -0.00275  -0.00251   1.90782
   A97        1.89930   0.00016  -0.00008   0.00192   0.00186   1.90116
   A98        1.87539   0.00004  -0.00054   0.00082   0.00028   1.87567
   A99        2.09972  -0.00024   0.00008  -0.00102  -0.00095   2.09878
   A100       2.10135   0.00009  -0.00011   0.00046   0.00035   2.10170
   A101       2.08210   0.00015   0.00003   0.00056   0.00060   2.08270
   A102       2.09980   0.00010   0.00014   0.00016   0.00030   2.10009
   A103       2.10353  -0.00026  -0.00018  -0.00088  -0.00107   2.10246
   A104       2.07967   0.00016   0.00003   0.00077   0.00079   2.08046
   A105       2.13081   0.00235   0.00040   0.01092   0.00948   2.14029
   A106       2.06502  -0.00026   0.00180  -0.00209  -0.00206   2.06296
   A107       2.08734  -0.00208  -0.00241  -0.00836  -0.01257   2.07478
   A108       2.09980  -0.00003   0.00002  -0.00018  -0.00016   2.09964
   A109       2.08828   0.00010  -0.00002   0.00052   0.00050   2.08879
   A110       2.09510  -0.00007   0.00000  -0.00034  -0.00034   2.09476
   A111       2.09929  -0.00012   0.00008  -0.00066  -0.00058   2.09871
   A112       2.09309   0.00019  -0.00016   0.00123   0.00107   2.09416
   A113       2.09080  -0.00008   0.00008  -0.00057  -0.00048   2.09031
   A114       2.10113  -0.00010   0.00002  -0.00048  -0.00046   2.10067
   A115       2.08702   0.00015  -0.00004   0.00081   0.00077   2.08780
   A116       2.09498  -0.00006   0.00002  -0.00031  -0.00030   2.09469
   A117       2.10091  -0.00010   0.00004  -0.00055  -0.00051   2.10040
   A118       2.08905   0.00023  -0.00006   0.00119   0.00113   2.09018
   A119       2.09322  -0.00013   0.00002  -0.00063  -0.00061   2.09260
   A120       1.92559   0.00095  -0.00337  -0.00126  -0.00466   1.92094
   A121       1.88696  -0.00019   0.00027  -0.00109  -0.00087   1.88608
   A122       1.95208  -0.00057   0.00069   0.00148   0.00217   1.95425
   A123       1.89917  -0.00151   0.00224  -0.01129  -0.00907   1.89011
   A124       1.88170   0.00082   0.00183   0.00410   0.00594   1.88764
   A125       1.91790   0.00046  -0.00162   0.00769   0.00609   1.92398
   A126       2.09690  -0.00009  -0.00003  -0.00027  -0.00030   2.09660
   A127       2.09169   0.00006  -0.00002   0.00031   0.00029   2.09198
   A128       2.09460   0.00003   0.00005  -0.00005   0.00001   2.09461
   A129       2.09705   0.00000  -0.00007   0.00016   0.00009   2.09714
   A130       2.09061  -0.00003   0.00005  -0.00026  -0.00022   2.09039
   A131       2.09552   0.00003   0.00002   0.00010   0.00013   2.09565
   A132       2.09123   0.00009  -0.00003   0.00039   0.00036   2.09159
   A133       2.09583  -0.00004   0.00002  -0.00021  -0.00019   2.09564
   A134       2.09612  -0.00004   0.00001  -0.00017  -0.00017   2.09595
   A135       2.09708  -0.00007  -0.00002  -0.00023  -0.00026   2.09682
   A136       2.09146   0.00007  -0.00004   0.00039   0.00035   2.09180
   A137       2.09465   0.00001   0.00006  -0.00015  -0.00009   2.09456
   A138       2.09724  -0.00003  -0.00005  -0.00005  -0.00010   2.09714
   A139       2.09165   0.00002   0.00000   0.00007   0.00007   2.09172
   A140       2.09430   0.00001   0.00004  -0.00002   0.00002   2.09432
   A141       2.09033   0.00014  -0.00002   0.00055   0.00053   2.09086
   A142       2.09621  -0.00008   0.00001  -0.00031  -0.00030   2.09590
   A143       2.09665  -0.00006   0.00001  -0.00024  -0.00023   2.09642
   A144       2.02383   0.00531  -0.00164   0.01371   0.01206   2.03589
   A145       2.13222  -0.00433   0.00026  -0.00917  -0.00892   2.12330
   A146       2.12385  -0.00100   0.00133  -0.00513  -0.00380   2.12005
   A147       2.06895  -0.00041  -0.00012  -0.00067  -0.00079   2.06816
   A148       2.09737   0.00265  -0.00097   0.00749   0.00651   2.10388
   A149       2.11686  -0.00224   0.00107  -0.00683  -0.00576   2.11109
   A150       2.06105   0.00148  -0.00053   0.00505   0.00452   2.06557
   A151       2.12294  -0.00099  -0.00045  -0.00094  -0.00139   2.12155
   A152       2.09919  -0.00049   0.00098  -0.00411  -0.00313   2.09606
   A153       2.10045   0.00104  -0.00050   0.00420   0.00369   2.10414
   A154       2.08507  -0.00029   0.00020  -0.00091  -0.00071   2.08437
   A155       2.09766  -0.00075   0.00030  -0.00329  -0.00299   2.09467
   A156       2.10929  -0.00056  -0.00023  -0.00145  -0.00168   2.10760
   A157       2.08253   0.00029  -0.00005   0.00113   0.00108   2.08361
   A158       2.09135   0.00027   0.00029   0.00031   0.00060   2.09195
   A159       1.94120   0.00010   0.00026  -0.00128  -0.00103   1.94017
   A160       1.92244  -0.00003   0.00069  -0.00102  -0.00034   1.92210
   A161       1.92215   0.00036   0.00003   0.00271   0.00274   1.92489
   A162       1.89671  -0.00040  -0.00045  -0.00263  -0.00308   1.89362
   A163       1.89961  -0.00049  -0.00056  -0.00184  -0.00240   1.89721
   A164       1.88043   0.00046   0.00000   0.00416   0.00416   1.88459
   A165       1.93703   0.00017   0.00031   0.00022   0.00052   1.93756
   A166       1.92784  -0.00005  -0.00010  -0.00004  -0.00014   1.92770
   A167       1.92411  -0.00010  -0.00001  -0.00061  -0.00062   1.92348
   A168       1.89353  -0.00003   0.00025  -0.00045  -0.00020   1.89334
   A169       1.88929   0.00000   0.00004   0.00009   0.00013   1.88942
   A170       1.89083   0.00000  -0.00050   0.00081   0.00032   1.89114
   A171       2.10264  -0.00056   0.00004  -0.00200  -0.00196   2.10068
   A172       2.09147   0.00022  -0.00015   0.00100   0.00086   2.09233
   A173       2.08907   0.00034   0.00011   0.00099   0.00110   2.09018
    D1       -1.03355   0.00186  -0.00726   0.04973   0.04246  -0.99109
    D2       -3.13312  -0.00078  -0.00496   0.02070   0.01576  -3.11736
    D3        1.09743   0.00045  -0.00538   0.02963   0.02424   1.12167
    D4        2.50504   0.00075   0.01448   0.00119   0.01566   2.52070
    D5       -1.70320  -0.00064   0.01541  -0.01389   0.00152  -1.70168
    D6        0.41064  -0.00056   0.01400  -0.00412   0.00989   0.42053
    D7       -2.08225  -0.00031  -0.00959  -0.00066  -0.01026  -2.09251
    D8        1.14496  -0.00008  -0.00905   0.00727  -0.00177   1.14319
    D9        0.82922   0.00045   0.01449   0.04551   0.06001   0.88924
   D10       -1.31962   0.00046   0.02014   0.03774   0.05788  -1.26173
   D11        2.90623   0.00158   0.01913   0.04718   0.06632   2.97255
   D12       -2.24543  -0.00063   0.00321   0.00575   0.00896  -2.23647
   D13        1.88892  -0.00062   0.00887  -0.00203   0.00683   1.89575
   D14       -0.16842   0.00050   0.00786   0.00741   0.01526  -0.15316
   D15        2.77764  -0.00114  -0.01523  -0.01108  -0.02636   2.75128
   D16       -1.38606  -0.00084  -0.01289  -0.01708  -0.03000  -1.41606
   D17        0.65432  -0.00061  -0.01241  -0.01897  -0.03141   0.62291
   D18       -0.43244  -0.00002  -0.00368   0.02953   0.02587  -0.40657
   D19        1.68704   0.00027  -0.00134   0.02353   0.02223   1.70927
   D20       -2.55576   0.00051  -0.00086   0.02164   0.02081  -2.53495
   D21       -0.08752   0.00042   0.01036   0.00971   0.02000  -0.06752
   D22        3.08909   0.00081   0.01449   0.01167   0.02608   3.11517
   D23        3.12243  -0.00066  -0.00113  -0.03108  -0.03216   3.09026
   D24        0.01586  -0.00026   0.00300  -0.02911  -0.02609  -0.01023
   D25       -1.24209  -0.00020   0.00245  -0.01387  -0.01143  -1.25352
   D26        2.84343   0.00104   0.00384   0.00064   0.00449   2.84792
   D27        0.79062   0.00023   0.00135  -0.00174  -0.00039   0.79022
   D28        2.05756  -0.00074  -0.01190   0.01448   0.00257   2.06013
   D29       -0.14011   0.00051  -0.01051   0.02898   0.01849  -0.12162
   D30       -2.19292  -0.00030  -0.01300   0.02661   0.01361  -2.17932
   D31        0.16925  -0.00097  -0.00647   0.01799   0.01151   0.18076
   D32       -3.01628  -0.00230  -0.02765   0.03548   0.00786  -3.00842
   D33       -3.13272  -0.00041   0.00807  -0.01072  -0.00268  -3.13540
   D34       -0.03507  -0.00174  -0.01311   0.00676  -0.00633  -0.04139
   D35       -1.92550   0.00067  -0.00308   0.03149   0.02847  -1.89703
   D36        2.21183  -0.00018  -0.00198   0.03615   0.03411   2.24594
   D37        0.11865   0.00024  -0.00311   0.03454   0.03142   0.15007
   D38        1.08091   0.00068  -0.00006   0.02882   0.02882   1.10973
   D39       -1.06495  -0.00017   0.00104   0.03348   0.03446  -1.03049
   D40        3.12506   0.00025  -0.00008   0.03187   0.03177  -3.12635
   D41        0.00192  -0.00065  -0.00278  -0.04464  -0.04764  -0.04572
   D42        3.13787   0.00108   0.01200   0.05683   0.06905  -3.07626
   D43       -3.00177  -0.00067  -0.00588  -0.04196  -0.04807  -3.04983
   D44        0.13419   0.00106   0.00890   0.05950   0.06862   0.20281
   D45       -3.13756   0.00059   0.00306   0.01729   0.02033  -3.11723
   D46       -0.03049   0.00021  -0.00099   0.01532   0.01432  -0.01618
   D47        0.09644   0.00027   0.00146   0.00605   0.00749   0.10393
   D48       -3.07968  -0.00011  -0.00259   0.00408   0.00148  -3.07820
   D49        0.45738  -0.00008  -0.00014  -0.00408  -0.00422   0.45316
   D50        2.57634  -0.00024  -0.00003  -0.00588  -0.00590   2.57044
   D51       -1.66171  -0.00021  -0.00036  -0.00577  -0.00612  -1.66783
   D52       -2.77929   0.00027   0.00149   0.00764   0.00911  -2.77018
   D53       -0.66032   0.00011   0.00160   0.00584   0.00743  -0.65290
   D54        1.38481   0.00014   0.00126   0.00595   0.00721   1.39201
   D55       -0.94006  -0.00020   0.00804   0.08282   0.09086  -0.84920
   D56        1.16585   0.00016   0.00555   0.09018   0.09575   1.26159
   D57       -3.08299   0.00010   0.00746   0.08543   0.09290  -2.99009
   D58        1.26915  -0.00011   0.00602   0.07531   0.08133   1.35048
   D59       -2.90812   0.00025   0.00353   0.08267   0.08621  -2.82191
   D60       -0.87378   0.00019   0.00545   0.07792   0.08337  -0.79041
   D61       -2.99653   0.00022   0.00840   0.07901   0.08738  -2.90916
   D62       -0.89063   0.00058   0.00591   0.08637   0.09226  -0.79836
   D63        1.14372   0.00053   0.00782   0.08162   0.08942   1.23314
   D64       -1.07555  -0.00078  -0.00600  -0.00651  -0.01249  -1.08803
   D65        1.06262  -0.00045  -0.00660  -0.00295  -0.00953   1.05309
   D66        3.10456  -0.00081  -0.00628  -0.00791  -0.01416   3.09040
   D67        2.97862   0.00099  -0.00117  -0.00606  -0.00725   2.97137
   D68       -1.16640   0.00132  -0.00177  -0.00250  -0.00429  -1.17069
   D69        0.87554   0.00096  -0.00145  -0.00745  -0.00892   0.86662
   D70        0.98196  -0.00014  -0.00325  -0.01094  -0.01419   0.96778
   D71        3.12013   0.00019  -0.00385  -0.00738  -0.01123   3.10890
   D72       -1.12111  -0.00017  -0.00352  -0.01234  -0.01586  -1.13697
   D73        3.04518   0.00229   0.00069   0.03021   0.03089   3.07607
   D74        0.93048   0.00298   0.00030   0.03675   0.03706   0.96754
   D75       -1.17381   0.00194  -0.00138   0.02421   0.02282  -1.15100
   D76       -1.09243  -0.00061  -0.00735   0.04587   0.03851  -1.05392
   D77        3.07606   0.00008  -0.00773   0.05241   0.04468   3.12074
   D78        0.97176  -0.00096  -0.00941   0.03987   0.03044   1.00220
   D79        0.96395  -0.00031  -0.00423   0.02058   0.01635   0.98030
   D80       -1.15075   0.00038  -0.00462   0.02711   0.02252  -1.12822
   D81        3.02814  -0.00067  -0.00630   0.01458   0.00828   3.03642
   D82        1.72489   0.00045   0.01015   0.14576   0.15588   1.88077
   D83       -1.37279   0.00174   0.03119   0.12835   0.15954  -1.21325
   D84       -0.48461  -0.00147   0.01241   0.13651   0.14896  -0.33565
   D85        2.70090  -0.00018   0.03345   0.11910   0.15262   2.85352
   D86       -2.51861  -0.00043   0.01034   0.15392   0.16420  -2.35441
   D87        0.66690   0.00087   0.03138   0.13650   0.16786   0.83476
   D88        1.71868  -0.00055   0.00948   0.08989   0.09933   1.81801
   D89       -2.50826  -0.00034   0.00908   0.10431   0.11344  -2.39482
   D90       -0.39677  -0.00021   0.00785   0.10377   0.11157  -0.28520
   D91       -0.39086   0.00006   0.01267   0.08855   0.10121  -0.28965
   D92        1.66538   0.00027   0.01227   0.10297   0.11533   1.78071
   D93       -2.50631   0.00040   0.01104   0.10243   0.11346  -2.39285
   D94       -2.45585  -0.00038   0.01165   0.08570   0.09732  -2.35853
   D95       -0.39961  -0.00017   0.01126   0.10013   0.11144  -0.28817
   D96        1.71188  -0.00004   0.01002   0.09958   0.10957   1.82145
   D97       -1.17651   0.00150   0.00219   0.00448   0.00670  -1.16981
   D98        1.01348  -0.00003   0.00221  -0.01576  -0.01356   0.99991
   D99        3.05341   0.00105   0.00132   0.00138   0.00272   3.05612
   D100       3.00566  -0.00033   0.00175  -0.01091  -0.00916   2.99650
   D101      -1.08754  -0.00187   0.00177  -0.03115  -0.02942  -1.11696
   D102       0.95239  -0.00078   0.00087  -0.01401  -0.01314   0.93925
   D103       0.87742   0.00046   0.00262  -0.00401  -0.00138   0.87604
   D104       3.06740  -0.00107   0.00264  -0.02425  -0.02164   3.04576
   D105      -1.17585   0.00001   0.00175  -0.00711  -0.00536  -1.18121
   D106      -1.02254  -0.00056  -0.00231  -0.02346  -0.02578  -1.04833
   D107      -3.11051  -0.00067  -0.00268  -0.02454  -0.02723  -3.13774
   D108       1.08631  -0.00062  -0.00293  -0.02352  -0.02645   1.05985
   D109       1.10783   0.00050  -0.00142  -0.02043  -0.02185   1.08598
   D110      -0.98014   0.00039  -0.00179  -0.02151  -0.02330  -1.00344
   D111      -3.06651   0.00044  -0.00204  -0.02048  -0.02252  -3.08903
   D112      -3.08102   0.00005  -0.00004  -0.02258  -0.02262  -3.10364
   D113       1.11420  -0.00007  -0.00041  -0.02366  -0.02407   1.09013
   D114      -0.97217  -0.00001  -0.00066  -0.02263  -0.02329  -0.99546
   D115       0.97330  -0.00044  -0.00108  -0.02574  -0.02683   0.94647
   D116      -1.13434  -0.00069  -0.00133  -0.02882  -0.03017  -1.16451
   D117       3.05987  -0.00072  -0.00143  -0.02892  -0.03037   3.02950
   D118      -1.13537   0.00016  -0.00028  -0.02082  -0.02110  -1.15647
   D119       3.04017  -0.00009  -0.00053  -0.02390  -0.02443   3.01574
   D120       0.95120  -0.00012  -0.00064  -0.02400  -0.02464   0.92656
   D121       3.06299   0.00051  -0.00059  -0.01325  -0.01382   3.04917
   D122       0.95535   0.00027  -0.00084  -0.01633  -0.01715   0.93819
   D123      -1.13362   0.00024  -0.00095  -0.01643  -0.01736  -1.15098
   D124      -0.96719  -0.00022  -0.00531  -0.05129  -0.05662  -1.02381
   D125       1.19363  -0.00052  -0.00521  -0.06103  -0.06623   1.12739
   D126      -3.06472  -0.00031  -0.00543  -0.05738  -0.06281  -3.12754
   D127       3.14035   0.00053  -0.00491  -0.03740  -0.04229   3.09806
   D128      -0.98202   0.00023  -0.00481  -0.04715  -0.05190  -1.03393
   D129       1.04281   0.00044  -0.00502  -0.04350  -0.04849   0.99433
   D130       1.11854  -0.00018  -0.00363  -0.05222  -0.05589   1.06265
   D131      -3.00383  -0.00049  -0.00352  -0.06196  -0.06550  -3.06934
   D132      -0.97900  -0.00027  -0.00374  -0.05831  -0.06209  -1.04108
   D133      -1.42957  -0.00030   0.00049   0.00103   0.00152  -1.42805
   D134       1.71752  -0.00031   0.00083   0.00128   0.00211   1.71963
   D135       2.70849   0.00009   0.00109   0.00333   0.00442   2.71291
   D136      -0.42760   0.00009   0.00143   0.00358   0.00501  -0.42259
   D137       0.64885   0.00012   0.00042   0.00493   0.00534   0.65420
   D138      -2.48724   0.00011   0.00076   0.00518   0.00594  -2.48130
   D139       0.82493   0.00004   0.00237  -0.01805  -0.01568   0.80925
   D140       2.91329   0.00048   0.00162  -0.01293  -0.01130   2.90199
   D141      -1.29999   0.00003   0.00156  -0.01724  -0.01567  -1.31566
   D142      -1.29836  -0.00056  -0.00043  -0.01587  -0.01629  -1.31466
   D143       0.79000  -0.00013  -0.00117  -0.01074  -0.01191   0.77809
   D144       2.85990  -0.00057  -0.00123  -0.01506  -0.01629   2.84362
   D145       2.93483  -0.00024  -0.00059  -0.00996  -0.01055   2.92427
   D146      -1.25999   0.00019  -0.00133  -0.00484  -0.00617  -1.26617
   D147       0.80991  -0.00026  -0.00139  -0.00915  -0.01054   0.79936
   D148      -0.83279   0.00002  -0.00066   0.00679   0.00614  -0.82665
   D149      -2.94307   0.00007  -0.00059   0.00645   0.00587  -2.93720
   D150       1.29534   0.00001  -0.00003   0.00592   0.00590   1.30124
   D151      -2.91995  -0.00011  -0.00020   0.00428   0.00409  -2.91586
   D152       1.25295  -0.00007  -0.00012   0.00394   0.00382   1.25678
   D153      -0.79182  -0.00013   0.00044   0.00341   0.00384  -0.78797
   D154       1.29307  -0.00015  -0.00131   0.01133   0.01003   1.30310
   D155      -0.81722  -0.00011  -0.00124   0.01100   0.00976  -0.80746
   D156      -2.86199  -0.00017  -0.00068   0.01047   0.00978  -2.85220
   D157      -1.24374  -0.00053  -0.00073  -0.00435  -0.00508  -1.24882
   D158       1.91911  -0.00060   0.00012  -0.00672  -0.00659   1.91252
   D159       2.89110   0.00022  -0.00025   0.00656   0.00631   2.89741
   D160      -0.22924   0.00015   0.00060   0.00420   0.00479  -0.22444
   D161       0.83024   0.00041  -0.00159   0.01021   0.00862   0.83887
   D162      -2.29009   0.00033  -0.00074   0.00784   0.00711  -2.28298
   D163      -3.13569  -0.00001   0.00026  -0.00001   0.00025  -3.13543
   D164       0.00604  -0.00002   0.00028  -0.00041  -0.00013   0.00591
   D165       0.00047  -0.00001  -0.00008  -0.00025  -0.00033   0.00013
   D166      -3.14100  -0.00002  -0.00005  -0.00066  -0.00071   3.14147
   D167       3.13695   0.00000  -0.00026  -0.00020  -0.00046   3.13649
   D168      -0.00062  -0.00002   0.00009  -0.00103  -0.00095  -0.00156
   D169       0.00080   0.00000   0.00008   0.00005   0.00013   0.00093
   D170      -3.13676  -0.00002   0.00042  -0.00078  -0.00035  -3.13712
   D171      -3.11796  -0.00008   0.00108  -0.00238  -0.00130  -3.11926
   D172       0.03388  -0.00014   0.00122  -0.00457  -0.00335   0.03053
   D173       0.00266  -0.00002   0.00024  -0.00006   0.00017   0.00283
   D174      -3.12869  -0.00007   0.00038  -0.00225  -0.00187  -3.13056
   D175       3.11645   0.00010  -0.00106   0.00292   0.00186   3.11831
   D176      -0.02096  -0.00001  -0.00118  -0.00095  -0.00213  -0.02309
   D177      -0.00412   0.00003  -0.00022   0.00059   0.00037  -0.00376
   D178      -3.14153  -0.00008  -0.00034  -0.00328  -0.00362   3.13803
   D179       2.73084   0.00066   0.00767   0.05101   0.05848   2.78932
   D180       0.66336   0.00124   0.00798   0.05991   0.06765   0.73101
   D181      -1.41603   0.00107   0.00761   0.05469   0.06209  -1.35394
   D182      -0.40533  -0.00102  -0.00659  -0.04669  -0.05305  -0.45837
   D183      -2.47281  -0.00043  -0.00628  -0.03778  -0.04388  -2.51669
   D184       1.73099  -0.00061  -0.00665  -0.04301  -0.04944   1.68155
   D185      -0.00120   0.00001   0.00004   0.00015   0.00019  -0.00101
   D186       3.14002   0.00000   0.00008  -0.00008   0.00000   3.14002
   D187       3.14026   0.00002   0.00001   0.00056   0.00057   3.14084
   D188      -0.00170   0.00001   0.00005   0.00033   0.00038  -0.00132
   D189      -0.00134   0.00001  -0.00004   0.00026   0.00022  -0.00112
   D190       3.13974   0.00000   0.00008  -0.00026  -0.00018   3.13956
   D191       3.13623   0.00003  -0.00038   0.00109   0.00071   3.13693
   D192      -0.00588   0.00002  -0.00026   0.00056   0.00030  -0.00557
   D193       0.00100  -0.00001   0.00000  -0.00064  -0.00064   0.00036
   D194      -3.13954   0.00000   0.00010  -0.00012  -0.00001  -3.13956
   D195       3.13230   0.00005  -0.00014   0.00156   0.00142   3.13372
   D196      -0.00824   0.00006  -0.00004   0.00209   0.00205  -0.00620
   D197       0.00194  -0.00002  -0.00004  -0.00041  -0.00044   0.00150
   D198      -3.13864  -0.00005  -0.00005  -0.00138  -0.00143  -3.14006
   D199       3.13934   0.00009   0.00009   0.00347   0.00355  -3.14029
   D200      -0.00124   0.00006   0.00007   0.00250   0.00257   0.00133
   D201       0.00066   0.00000   0.00000   0.00016   0.00016   0.00082
   D202      -3.14133  -0.00001   0.00006  -0.00034  -0.00028   3.14157
   D203      -3.14056   0.00001  -0.00003   0.00039   0.00035  -3.14021
   D204       0.00063   0.00000   0.00002  -0.00011  -0.00009   0.00054
   D205       0.00061  -0.00001   0.00000  -0.00036  -0.00037   0.00024
   D206      -3.14058   0.00000  -0.00006   0.00013   0.00008  -3.14051
   D207      -3.14047   0.00000  -0.00013   0.00016   0.00004  -3.14043
   D208       0.00152   0.00002  -0.00018   0.00066   0.00048   0.00200
   D209      -0.00322   0.00003  -0.00026   0.00082   0.00056  -0.00265
   D210       3.13848   0.00003   0.00023   0.00093   0.00115   3.13963
   D211       3.13732   0.00001  -0.00036   0.00030  -0.00006   3.13726
   D212      -0.00417   0.00002   0.00013   0.00040   0.00053  -0.00364
   D213       0.00175  -0.00001   0.00028  -0.00030  -0.00002   0.00173
   D214      -3.13994  -0.00002  -0.00021  -0.00040  -0.00062  -3.14056
   D215      -3.14086   0.00002   0.00029   0.00067   0.00096  -3.13990
   D216       0.00063   0.00001  -0.00020   0.00057   0.00037   0.00100
   D217      -3.06968   0.00039  -0.00048   0.01045   0.01002  -3.05966
   D218       0.06719   0.00027  -0.00214   0.00673   0.00461   0.07180
   D219      -0.01326  -0.00001  -0.00107   0.00235   0.00127  -0.01199
   D220       3.12362  -0.00013  -0.00273  -0.00138  -0.00414   3.11947
   D221       3.06843   0.00007   0.00004  -0.00709  -0.00700   3.06142
   D222      -0.06784   0.00005  -0.00188  -0.00626  -0.00811  -0.07595
   D223       0.01731   0.00002   0.00076   0.00040   0.00115   0.01846
   D224      -3.11895   0.00000  -0.00117   0.00123   0.00004  -3.11891
   D225      -0.00062   0.00000   0.00074  -0.00361  -0.00286  -0.00348
   D226      -3.13863  -0.00009   0.00020  -0.00425  -0.00404   3.14052
   D227      -3.13744   0.00011   0.00243   0.00012   0.00254  -3.13490
   D228       0.00774   0.00002   0.00189  -0.00052   0.00136   0.00910
   D229      -2.94211  -0.00006   0.00045  -0.01049  -0.01004  -2.95215
   D230       1.23704   0.00040   0.00039  -0.00566  -0.00527   1.23176
   D231      -0.83462  -0.00036  -0.00006  -0.01184  -0.01190  -0.84652
   D232       0.19462  -0.00018  -0.00126  -0.01431  -0.01557   0.17905
   D233      -1.90941   0.00028  -0.00133  -0.00948  -0.01080  -1.92022
   D234       2.30212  -0.00048  -0.00177  -0.01565  -0.01743   2.28469
   D235      -0.00769   0.00001  -0.00012  -0.00188  -0.00198  -0.00967
   D236       3.14126  -0.00004  -0.00087  -0.00096  -0.00183   3.13943
   D237       3.12865   0.00002   0.00178  -0.00268  -0.00088   3.12776
   D238      -0.00558  -0.00002   0.00103  -0.00177  -0.00073  -0.00632
   D239       2.79359   0.00006   0.00006   0.00445   0.00450   2.79809
   D240       0.69269   0.00002  -0.00039   0.00489   0.00450   0.69718
   D241      -1.39646   0.00011   0.00029   0.00430   0.00459  -1.39187
   D242      -0.34255   0.00004  -0.00191   0.00526   0.00335  -0.33920
   D243      -2.44346  -0.00001  -0.00236   0.00571   0.00335  -2.44012
   D244       1.75058   0.00009  -0.00167   0.00512   0.00344   1.75402
   D245       0.01000   0.00002  -0.00014   0.00226   0.00211   0.01211
   D246      -3.13150  -0.00009   0.00056  -0.00152  -0.00097  -3.13247
   D247      -3.13520   0.00012   0.00040   0.00291   0.00330  -3.13190
   D248       0.00648   0.00001   0.00110  -0.00087   0.00022   0.00670
   D249      -0.00576  -0.00003  -0.00018   0.00056   0.00038  -0.00537
   D250       3.13575   0.00008  -0.00088   0.00434   0.00346   3.13920
   D251       3.12844   0.00002   0.00058  -0.00035   0.00023   3.12867
   D252      -0.01325   0.00013  -0.00012   0.00342   0.00330  -0.00994
         Item               Value     Threshold  Converged?
 Maximum Force            0.005306     0.000450     NO 
 RMS     Force            0.000868     0.000300     NO 
 Maximum Displacement     1.792571     0.001800     NO 
 RMS     Displacement     0.339505     0.001200     NO 
 Predicted change in Energy=-9.361695D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.024304   -0.031902   -1.542867
      2          8           0       -3.497165    0.224702   -2.464481
      3          8           0       -3.854672   -2.493308    1.583792
      4          8           0        2.283316    1.978295    2.154498
      5          8           0        3.662388   -1.164085    1.263144
      6          7           0       -3.174051   -2.544266   -0.632361
      7          7           0       -3.095631    0.446973   -0.215298
      8          7           0        2.156688    0.842612    0.158841
      9          7           0       -2.102654   -3.879517    1.076216
     10          6           0       -2.625704    1.814645   -0.287275
     11          6           0       -4.220435   -1.619303   -1.010125
     12          6           0       -1.290882    1.981000   -1.034542
     13          6           0       -0.201100    1.008726   -0.587644
     14          6           0       -5.082690   -2.049359   -2.218335
     15          6           0        1.183076    1.715613   -0.444250
     16          6           0       -2.520494    2.452981    1.110743
     17          6           0       -3.591986   -0.226978   -1.306130
     18          6           0       -2.256701   -3.030873   -1.636921
     19          6           0       -0.930479   -3.532604   -1.066215
     20          6           0        1.637067    2.224911   -1.826991
     21          6           0       -3.085049   -2.965483    0.706049
     22          6           0       -6.181896   -1.024747   -2.423187
     23          6           0       -5.702942   -3.414653   -2.007528
     24          6           0       -1.171025   -4.438518    0.140621
     25          6           0       -3.844073    2.528268    1.785883
     26          6           0        2.923369    2.966248   -1.776323
     27          6           0        2.628545    1.017695    1.434636
     28          6           0       -4.728919    3.571944    1.489119
     29          6           0       -4.214890    1.561962    2.728730
     30          6           0        2.982231    4.242106   -1.201020
     31          6           0        4.085305    2.409454   -2.323182
     32          6           0        3.721215    0.089447    1.948563
     33          6           0       -5.965894    3.647549    2.126274
     34          6           0       -5.453589    1.639377    3.363716
     35          6           0       -6.330586    2.681470    3.064058
     36          6           0        4.182556    4.949007   -1.176944
     37          6           0        5.285119    3.119009   -2.299013
     38          6           0        5.336059    4.389654   -1.727258
     39          6           0        4.907469   -1.742382    1.028233
     40          6           0        5.255106   -1.970568   -0.320450
     41          6           0        5.726216   -2.183451    2.081496
     42          6           0        6.450402   -2.638887   -0.596793
     43          6           0        6.920147   -2.842688    1.764304
     44          6           0        4.363382   -1.521396   -1.413653
     45          6           0        5.349520   -1.970141    3.497121
     46          6           0        7.279640   -3.065035    0.438881
     47          1           0       -3.391163    2.408449   -0.881384
     48          1           0       -4.926610   -1.507664   -0.127561
     49          1           0       -1.480720    1.825863   -2.133556
     50          1           0       -0.959786    3.040613   -0.883002
     51          1           0       -0.479351    0.551404    0.403791
     52          1           0       -4.429354   -2.060842   -3.135848
     53          1           0        1.033665    2.603095    0.244050
     54          1           0       -3.192030    0.040998    0.688259
     55          1           0       -1.797026    1.875106    1.746122
     56          1           0       -2.101258    3.486698    0.980611
     57          1           0       -2.742767   -3.876677   -2.206429
     58          1           0       -2.060458   -2.193666   -2.370840
     59          1           0       -0.392731   -4.112280   -1.858984
     60          1           0       -0.282334   -2.666926   -0.769000
     61          1           0        1.712335    1.354055   -2.531676
     62          1           0        0.833254    2.906233   -2.218586
     63          1           0       -6.831887   -0.952995   -1.517590
     64          1           0       -6.817952   -1.322987   -3.291685
     65          1           0       -5.742823   -0.019110   -2.634814
     66          1           0       -6.275648   -3.440936   -1.048512
     67          1           0       -4.932132   -4.220982   -1.981017
     68          1           0       -6.408519   -3.639532   -2.844919
     69          1           0       -0.192234   -4.620490    0.671528
     70          1           0       -1.551631   -5.439733   -0.222297
     71          1           0        2.402374    0.019345   -0.342317
     72          1           0       -2.108266   -4.192879    2.016595
     73          1           0       -0.883705   -0.458852   -1.652130
     74          1           0       -4.443288    4.334593    0.749088
     75          1           0       -3.525602    0.738839    2.973466
     76          1           0        2.075219    4.682173   -0.759709
     77          1           0        4.050234    1.406232   -2.774500
     78          1           0        3.537412   -0.101177    3.038633
     79          1           0        4.708817    0.599718    1.805365
     80          1           0       -6.654923    4.471502    1.888700
     81          1           0       -5.737787    0.874680    4.101993
     82          1           0       -7.307017    2.742022    3.566378
     83          1           0        4.219710    5.949568   -0.721306
     84          1           0        6.192954    2.674227   -2.732397
     85          1           0        6.282495    4.949077   -1.709437
     86          1           0        6.735876   -2.825810   -1.642898
     87          1           0        7.575459   -3.193621    2.576163
     88          1           0        4.683525   -1.946864   -2.395913
     89          1           0        4.378250   -0.403113   -1.488703
     90          1           0        3.309118   -1.840269   -1.210654
     91          1           0        5.904739   -2.669939    4.169592
     92          1           0        4.251814   -2.137534    3.639236
     93          1           0        5.589398   -0.921005    3.807441
     94          1           0        8.222834   -3.582835    0.208281
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0841336      0.0397068      0.0338654
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3203.8255633277 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 EnCoef did     6 forward-backward iterations
 EnCoef did     3 forward-backward iterations
 EnCoef did     7 forward-backward iterations
 EnCoef did     3 forward-backward iterations
 SCF Done:  E(RAM1) = -0.241439609279     A.U. after   29 cycles
             Convg  =    0.6328D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.001063456    0.001634607   -0.001010593
      2        8           0.000873375   -0.001988280   -0.001056848
      3        8           0.000426010   -0.000279156    0.000250126
      4        8          -0.001656512    0.003300986   -0.000473910
      5        8           0.003945568    0.001391217    0.000420016
      6        7          -0.000427125    0.000240592    0.002810099
      7        7          -0.000347269   -0.001712451    0.000845272
      8        7           0.000485403    0.000692409   -0.000607932
      9        7          -0.000401802   -0.000095474    0.001089220
     10        6          -0.000487412    0.001530752    0.001192935
     11        6           0.001151233   -0.000449677    0.001172111
     12        6           0.002280274    0.000805604    0.000835569
     13        6          -0.002205629   -0.002897224   -0.000506147
     14        6           0.000973998   -0.000156741   -0.000308631
     15        6          -0.003271319    0.001534520    0.002026836
     16        6          -0.000191475    0.000313554   -0.000553204
     17        6           0.001940029   -0.000051511   -0.001210163
     18        6          -0.000604952    0.000874771   -0.001224884
     19        6          -0.000724996    0.000885835   -0.000289032
     20        6          -0.000581595    0.001108713   -0.000138346
     21        6           0.000277575   -0.001614871   -0.001391361
     22        6          -0.001455232    0.000713057    0.000647805
     23        6           0.000386698   -0.000344427   -0.000422264
     24        6          -0.000012236    0.000109127   -0.000053387
     25        6           0.000259259    0.000169288   -0.000217126
     26        6          -0.000044248   -0.000770517   -0.000604799
     27        6          -0.002105128   -0.007903556   -0.001660417
     28        6           0.000074766   -0.000293721    0.000048249
     29        6           0.000122652   -0.000317297   -0.000020781
     30        6           0.000021286    0.000214225    0.000006211
     31        6          -0.000027166    0.000070675    0.000051732
     32        6           0.001590541    0.001672487    0.000114141
     33        6          -0.000229048   -0.000025495   -0.000022077
     34        6           0.000062191    0.000162120   -0.000074896
     35        6          -0.000039833    0.000035375   -0.000021208
     36        6          -0.000073191   -0.000025312   -0.000166686
     37        6           0.000163180   -0.000131638    0.000041464
     38        6           0.000014416   -0.000023293   -0.000021504
     39        6          -0.000672545   -0.001537365    0.002608370
     40        6          -0.000174000    0.001463392   -0.001722106
     41        6          -0.000330761   -0.000100616    0.000131234
     42        6          -0.000548007   -0.000085272    0.000211455
     43        6           0.000231274    0.000638027   -0.000715836
     44        6           0.000033439    0.000015410   -0.000231594
     45        6           0.000196581    0.000257789   -0.000151934
     46        6           0.000535306   -0.000535971    0.000390166
     47        1           0.000410518    0.000327325    0.000005964
     48        1           0.000206979    0.000092227   -0.000318563
     49        1           0.000116412    0.000064884   -0.001149303
     50        1           0.000686017   -0.000804198    0.000575299
     51        1           0.000801748    0.000015225   -0.000663406
     52        1           0.000486928    0.000758206    0.000226723
     53        1           0.000106217   -0.000295476    0.000498101
     54        1          -0.001025179    0.000976081   -0.000571482
     55        1           0.000021346   -0.000554042    0.000102877
     56        1          -0.000149905    0.000470791   -0.000265150
     57        1          -0.000854015    0.000500692   -0.000017492
     58        1           0.000542337    0.000530543   -0.000009782
     59        1          -0.000156828    0.000008378   -0.000321989
     60        1          -0.000866015   -0.000578071    0.000177667
     61        1          -0.000167617    0.000142278    0.000311295
     62        1           0.000575444    0.000390696    0.000329763
     63        1           0.000083148   -0.000119049    0.000234164
     64        1           0.000057754   -0.000030823   -0.000172239
     65        1          -0.001322198    0.000775638    0.000630419
     66        1           0.000166624   -0.000222438    0.000003326
     67        1           0.000054298   -0.000763608   -0.000546069
     68        1           0.000056860   -0.000041515   -0.000103292
     69        1          -0.000421145    0.000150270    0.000017197
     70        1          -0.000324691   -0.000103046   -0.000399423
     71        1          -0.000007664    0.000300803    0.000459553
     72        1           0.000134465   -0.000257642    0.000103608
     73        1          -0.001037222   -0.000133392    0.000499328
     74        1           0.000033962    0.000158441   -0.000037457
     75        1          -0.000187977    0.000100964    0.000073533
     76        1           0.000042646   -0.000189978    0.000102333
     77        1          -0.000181647   -0.000238424    0.000001324
     78        1           0.000423386    0.000503354   -0.000623379
     79        1           0.000353366    0.000094462   -0.000083564
     80        1           0.000122465    0.000002956    0.000036810
     81        1          -0.000011372   -0.000077684    0.000080598
     82        1           0.000053125   -0.000067497    0.000033455
     83        1           0.000069000    0.000029012    0.000085874
     84        1          -0.000086330    0.000039852   -0.000028994
     85        1          -0.000015240    0.000065924    0.000024343
     86        1           0.000185621   -0.000083529    0.000085289
     87        1          -0.000159829    0.000004958   -0.000095401
     88        1          -0.000155268    0.000041627   -0.000006159
     89        1           0.000422795    0.000063091    0.000120959
     90        1           0.000429466   -0.000370202    0.000085712
     91        1          -0.000238731   -0.000120673    0.000040039
     92        1           0.000289540   -0.000174191    0.000028892
     93        1           0.000105852    0.000101415    0.000255065
     94        1          -0.000166474    0.000020718    0.000168292
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007903556 RMS     0.000913681

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.007342821 RMS     0.000980112
 Search for a local minimum.
 Step number  10 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    8    9   10
 DE=  4.81D-04 DEPred=-9.36D-04 R=-5.13D-01
 Trust test=-5.13D-01 RLast= 6.71D-01 DXMaxT set to 3.57D-01
     Eigenvalues ---    0.00048   0.00225   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00237   0.00241   0.00247   0.00323   0.00361
     Eigenvalues ---    0.00425   0.00430   0.00474   0.00483   0.00552
     Eigenvalues ---    0.00628   0.00664   0.00751   0.00819   0.00949
     Eigenvalues ---    0.01297   0.01313   0.01353   0.01394   0.01404
     Eigenvalues ---    0.01434   0.01439   0.01443   0.01516   0.01527
     Eigenvalues ---    0.01831   0.01927   0.02008   0.02082   0.02089
     Eigenvalues ---    0.02103   0.02118   0.02128   0.02144   0.02149
     Eigenvalues ---    0.02151   0.02152   0.02160   0.02167   0.02169
     Eigenvalues ---    0.02172   0.02174   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02183   0.02186   0.02187
     Eigenvalues ---    0.02188   0.02281   0.02446   0.03108   0.03392
     Eigenvalues ---    0.03438   0.03550   0.03740   0.03763   0.03945
     Eigenvalues ---    0.03978   0.04074   0.04295   0.04359   0.04518
     Eigenvalues ---    0.04747   0.04796   0.04854   0.04923   0.04988
     Eigenvalues ---    0.05078   0.05305   0.05385   0.05396   0.05405
     Eigenvalues ---    0.05509   0.05577   0.05608   0.05621   0.05670
     Eigenvalues ---    0.05675   0.05922   0.05969   0.06799   0.07054
     Eigenvalues ---    0.07090   0.07117   0.07220   0.07376   0.07539
     Eigenvalues ---    0.07545   0.07980   0.08167   0.08468   0.09097
     Eigenvalues ---    0.09259   0.09428   0.09501   0.10972   0.11397
     Eigenvalues ---    0.12054   0.12346   0.12607   0.12805   0.13931
     Eigenvalues ---    0.15468   0.15834   0.15885   0.15918   0.15979
     Eigenvalues ---    0.15989   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16004   0.16008   0.16037   0.16107   0.16179
     Eigenvalues ---    0.16333   0.16822   0.16986   0.17315   0.17927
     Eigenvalues ---    0.18879   0.19260   0.19680   0.20130   0.20394
     Eigenvalues ---    0.21773   0.21832   0.21961   0.21995   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22072   0.22136   0.22317
     Eigenvalues ---    0.23125   0.23381   0.23477   0.23512   0.23902
     Eigenvalues ---    0.24248   0.24618   0.24822   0.24956   0.24977
     Eigenvalues ---    0.24993   0.24997   0.25017   0.25027   0.25080
     Eigenvalues ---    0.25210   0.26198   0.26658   0.26868   0.27228
     Eigenvalues ---    0.27319   0.27848   0.27882   0.28317   0.28587
     Eigenvalues ---    0.28710   0.29102   0.29807   0.30073   0.30328
     Eigenvalues ---    0.30547   0.31425   0.32375   0.33074   0.34031
     Eigenvalues ---    0.34268   0.34461   0.34506   0.34548   0.34602
     Eigenvalues ---    0.34641   0.34661   0.34682   0.34699   0.34708
     Eigenvalues ---    0.34732   0.34734   0.34737   0.34746   0.34747
     Eigenvalues ---    0.34750   0.34761   0.34775   0.34781   0.34790
     Eigenvalues ---    0.34800   0.34809   0.34815   0.34831   0.34833
     Eigenvalues ---    0.34839   0.34856   0.34871   0.34902   0.35000
     Eigenvalues ---    0.35352   0.35828   0.35890   0.35901   0.35922
     Eigenvalues ---    0.35946   0.35968   0.35983   0.35991   0.36001
     Eigenvalues ---    0.36003   0.36025   0.36033   0.36061   0.36476
     Eigenvalues ---    0.37336   0.38773   0.40716   0.41333   0.42184
     Eigenvalues ---    0.42251   0.42328   0.42381   0.42515   0.44439
     Eigenvalues ---    0.45392   0.45645   0.45924   0.45969   0.46068
     Eigenvalues ---    0.46109   0.46127   0.46139   0.46348   0.46417
     Eigenvalues ---    0.46758   0.46763   0.46768   0.46911   0.47111
     Eigenvalues ---    0.48234   0.49419   0.52979   0.54405   0.55455
     Eigenvalues ---    0.57189   0.60572   0.90124   0.90496   0.92178
     Eigenvalues ---    0.957601000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    10    9
 RFO step:  Lambda=-1.04511130D-03.
 DIIS coeffs:      0.40782      0.59218
 Maximum step size (   0.357) exceeded in Quadratic search.
    -- Step size scaled by   0.168
 Iteration  1 RMS(Cart)=  0.17354706 RMS(Int)=  0.00226391
 Iteration  2 RMS(Cart)=  0.00830496 RMS(Int)=  0.00001623
 Iteration  3 RMS(Cart)=  0.00001750 RMS(Int)=  0.00001569
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00001569
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69020  -0.00058  -0.00024   0.00084   0.00060   2.69079
    R2        1.82512   0.00054  -0.00013  -0.00008  -0.00021   1.82492
    R3        2.35632   0.00049   0.00011  -0.00039  -0.00029   2.35603
    R4        2.37963  -0.00053   0.00013  -0.00075  -0.00062   2.37901
    R5        2.36037   0.00160   0.00005  -0.00008  -0.00003   2.36035
    R6        2.70211   0.00317   0.00053  -0.00024   0.00028   2.70239
    R7        2.63197   0.00044   0.00002   0.00143   0.00145   2.63342
    R8        2.73402  -0.00340  -0.00022  -0.00068  -0.00089   2.73313
    R9        2.73028  -0.00328  -0.00066   0.00212   0.00147   2.73175
   R10        2.65685  -0.00066  -0.00019   0.00106   0.00087   2.65773
   R11        2.73622  -0.00214  -0.00019   0.00029   0.00010   2.73631
   R12        2.59828  -0.00063   0.00011  -0.00046  -0.00035   2.59794
   R13        1.88075   0.00051  -0.00027   0.00082   0.00055   1.88130
   R14        2.72132   0.00310   0.00018   0.00029   0.00047   2.72179
   R15        2.59172   0.00185   0.00040  -0.00197  -0.00157   2.59015
   R16        1.87958   0.00037   0.00015  -0.00099  -0.00085   1.87873
   R17        2.63044  -0.00081   0.00006   0.00011   0.00017   2.63061
   R18        2.70947  -0.00111  -0.00069   0.00310   0.00241   2.71188
   R19        1.87316  -0.00016  -0.00006   0.00007   0.00001   1.87316
   R20        2.90787   0.00023   0.00011   0.00082   0.00093   2.90880
   R21        2.91104   0.00083   0.00011   0.00005   0.00017   2.91120
   R22        2.14756  -0.00042   0.00013  -0.00036  -0.00023   2.14733
   R23        2.92035   0.00046   0.00019  -0.00095  -0.00076   2.91959
   R24        2.94041   0.00038   0.00008   0.00061   0.00069   2.94111
   R25        2.14637   0.00020  -0.00019   0.00080   0.00061   2.14698
   R26        2.88619  -0.00183  -0.00098   0.00443   0.00345   2.88963
   R27        2.12788  -0.00108  -0.00016   0.00036   0.00021   2.12809
   R28        2.11731  -0.00017   0.00011   0.00027   0.00038   2.11769
   R29        2.94954  -0.00203   0.00057  -0.00158  -0.00101   2.94853
   R30        2.12920   0.00058   0.00003   0.00056   0.00059   2.12979
   R31        2.86594   0.00250   0.00009   0.00086   0.00094   2.86689
   R32        2.86166  -0.00141  -0.00044   0.00076   0.00032   2.86198
   R33        2.12861  -0.00042  -0.00017   0.00089   0.00073   2.12934
   R34        2.91377  -0.00049   0.00012   0.00013   0.00025   2.91402
   R35        2.14107  -0.00050  -0.00016   0.00078   0.00062   2.14169
   R36        2.81140  -0.00023  -0.00012   0.00049   0.00037   2.81178
   R37        2.12210  -0.00007  -0.00016   0.00078   0.00063   2.12272
   R38        2.12228  -0.00018  -0.00003   0.00022   0.00019   2.12246
   R39        2.88844  -0.00186  -0.00021   0.00052   0.00031   2.88875
   R40        2.13462   0.00017  -0.00009   0.00062   0.00053   2.13515
   R41        2.13636  -0.00074   0.00000  -0.00034  -0.00034   2.13603
   R42        2.88763  -0.00044  -0.00021   0.00093   0.00073   2.88836
   R43        2.11588  -0.00032  -0.00014   0.00024   0.00010   2.11599
   R44        2.11938   0.00024   0.00001   0.00023   0.00024   2.11962
   R45        2.80720   0.00100   0.00003   0.00025   0.00028   2.80748
   R46        2.12175   0.00024  -0.00010   0.00088   0.00077   2.12252
   R47        2.12429  -0.00056   0.00004  -0.00023  -0.00018   2.12411
   R48        2.11087  -0.00025  -0.00002   0.00013   0.00011   2.11098
   R49        2.11092  -0.00018  -0.00003   0.00016   0.00014   2.11106
   R50        2.11183  -0.00045  -0.00004   0.00022   0.00019   2.11202
   R51        2.11142  -0.00020  -0.00004   0.00015   0.00011   2.11153
   R52        2.10856  -0.00002   0.00004   0.00001   0.00005   2.10862
   R53        2.11247  -0.00012  -0.00004   0.00011   0.00008   2.11254
   R54        2.13213  -0.00041  -0.00015   0.00010  -0.00005   2.13208
   R55        2.13715  -0.00046   0.00006  -0.00038  -0.00033   2.13682
   R56        2.64581  -0.00006   0.00001  -0.00009  -0.00007   2.64573
   R57        2.64576  -0.00019   0.00001  -0.00007  -0.00006   2.64570
   R58        2.64714  -0.00006  -0.00002  -0.00001  -0.00003   2.64710
   R59        2.64506   0.00007   0.00000   0.00001   0.00001   2.64507
   R60        2.87816   0.00622   0.00181  -0.00522  -0.00341   2.87474
   R61        2.63330   0.00002  -0.00001   0.00010   0.00009   2.63339
   R62        2.07944  -0.00016   0.00001  -0.00005  -0.00004   2.07940
   R63        2.63451   0.00002  -0.00001   0.00002   0.00001   2.63452
   R64        2.08088  -0.00017  -0.00002  -0.00001  -0.00003   2.08086
   R65        2.63281   0.00002  -0.00001   0.00011   0.00010   2.63290
   R66        2.07963  -0.00018   0.00001  -0.00009  -0.00008   2.07955
   R67        2.63453   0.00007   0.00000   0.00000   0.00000   2.63453
   R68        2.07988  -0.00014   0.00002  -0.00015  -0.00014   2.07974
   R69        2.11984   0.00088   0.00038  -0.00119  -0.00081   2.11903
   R70        2.11804   0.00004  -0.00029   0.00135   0.00106   2.11910
   R71        2.63598   0.00004   0.00003  -0.00015  -0.00012   2.63586
   R72        2.07878  -0.00013   0.00000   0.00003   0.00003   2.07881
   R73        2.63539   0.00005   0.00001  -0.00004  -0.00004   2.63535
   R74        2.07920  -0.00008  -0.00001   0.00006   0.00004   2.07924
   R75        2.07819  -0.00009  -0.00004   0.00021   0.00017   2.07836
   R76        2.63635  -0.00001  -0.00001  -0.00006  -0.00007   2.63628
   R77        2.07879  -0.00011  -0.00001   0.00003   0.00002   2.07881
   R78        2.63482  -0.00001   0.00000  -0.00005  -0.00004   2.63478
   R79        2.07854  -0.00010  -0.00001   0.00004   0.00003   2.07857
   R80        2.07785  -0.00007  -0.00004   0.00021   0.00017   2.07802
   R81        2.66704  -0.00164  -0.00004  -0.00001  -0.00005   2.66699
   R82        2.65522   0.00024   0.00000   0.00128   0.00128   2.65650
   R83        2.64004   0.00016   0.00022  -0.00042  -0.00020   2.63984
   R84        2.79783  -0.00060  -0.00050   0.00142   0.00092   2.79874
   R85        2.64607  -0.00008  -0.00006  -0.00011  -0.00018   2.64589
   R86        2.79743  -0.00009  -0.00036   0.00179   0.00143   2.79886
   R87        2.63334   0.00014  -0.00015   0.00015   0.00000   2.63335
   R88        2.07936   0.00012  -0.00001   0.00010   0.00009   2.07945
   R89        2.62898   0.00059   0.00040  -0.00163  -0.00124   2.62774
   R90        2.08016  -0.00009  -0.00003   0.00012   0.00009   2.08025
   R91        2.11138  -0.00005   0.00002   0.00008   0.00009   2.11147
   R92        2.11819  -0.00037  -0.00006   0.00005  -0.00002   2.11817
   R93        2.11646  -0.00049  -0.00011   0.00034   0.00023   2.11669
   R94        2.11295  -0.00027  -0.00005   0.00018   0.00013   2.11308
   R95        2.11546  -0.00030  -0.00006   0.00025   0.00019   2.11565
   R96        2.11660  -0.00029  -0.00003   0.00009   0.00006   2.11666
   R97        2.07948  -0.00010  -0.00006   0.00019   0.00014   2.07962
    A1        1.86350  -0.00008   0.00054   0.00064   0.00118   1.86468
    A2        1.99113   0.00151   0.00068  -0.00291  -0.00223   1.98890
    A3        2.08632  -0.00381  -0.00033  -0.00016  -0.00044   2.08588
    A4        2.07817   0.00294   0.00013   0.00031   0.00049   2.07866
    A5        2.11858   0.00088   0.00001  -0.00011  -0.00008   2.11850
    A6        2.14208  -0.00104  -0.00039   0.00112   0.00072   2.14280
    A7        2.05089   0.00052   0.00029  -0.00026   0.00002   2.05091
    A8        2.07757   0.00052   0.00030   0.00014   0.00044   2.07800
    A9        2.14694  -0.00015  -0.00061   0.00224   0.00162   2.14857
   A10        2.04628  -0.00017   0.00027  -0.00133  -0.00107   2.04521
   A11        2.08219   0.00025   0.00033  -0.00016   0.00016   2.08235
   A12        2.14249  -0.00008  -0.00010  -0.00134  -0.00147   2.14102
   A13        2.04416   0.00027  -0.00012   0.00135   0.00124   2.04540
   A14        2.09380  -0.00017   0.00013  -0.00025  -0.00010   2.09370
   A15        1.99083  -0.00302  -0.00051   0.00376   0.00325   1.99408
   A16        1.94815   0.00159   0.00017   0.00075   0.00092   1.94907
   A17        1.87646   0.00007   0.00041  -0.00451  -0.00410   1.87236
   A18        1.91418   0.00099   0.00136  -0.00434  -0.00298   1.91120
   A19        1.84826   0.00094  -0.00086   0.00221   0.00135   1.84961
   A20        1.87961  -0.00053  -0.00068   0.00221   0.00152   1.88113
   A21        2.01503  -0.00350  -0.00047  -0.00116  -0.00163   2.01340
   A22        1.90671  -0.00442  -0.00058  -0.00061  -0.00119   1.90552
   A23        1.88559   0.00234  -0.00112   0.00383   0.00271   1.88830
   A24        1.90248   0.00734   0.00045   0.00182   0.00227   1.90475
   A25        1.86288  -0.00081   0.00038  -0.00124  -0.00085   1.86203
   A26        1.88702  -0.00082   0.00150  -0.00282  -0.00132   1.88570
   A27        1.99110  -0.00116   0.00111   0.00269   0.00378   1.99488
   A28        1.88897  -0.00050   0.00017  -0.00009   0.00006   1.88903
   A29        1.86805   0.00195  -0.00032  -0.00094  -0.00125   1.86680
   A30        1.89460   0.00099  -0.00104   0.00661   0.00556   1.90016
   A31        1.93009  -0.00084  -0.00023  -0.00550  -0.00572   1.92437
   A32        1.88822  -0.00043   0.00031  -0.00311  -0.00279   1.88543
   A33        1.93651   0.00017  -0.00039   0.00688   0.00650   1.94301
   A34        1.85727   0.00079   0.00014  -0.00080  -0.00068   1.85658
   A35        1.90117  -0.00052   0.00041  -0.00126  -0.00083   1.90034
   A36        1.95126  -0.00090  -0.00207   0.00628   0.00420   1.95545
   A37        1.91734   0.00037   0.00143  -0.00738  -0.00595   1.91139
   A38        1.89862   0.00011   0.00047  -0.00379  -0.00333   1.89530
   A39        1.89863   0.00385   0.00060   0.00257   0.00316   1.90179
   A40        1.95044  -0.00304  -0.00096  -0.00055  -0.00150   1.94894
   A41        1.89235  -0.00005  -0.00026   0.00242   0.00216   1.89451
   A42        1.90821  -0.00084   0.00066  -0.00232  -0.00165   1.90656
   A43        1.89363  -0.00029   0.00052  -0.00086  -0.00035   1.89327
   A44        1.91959   0.00048  -0.00052  -0.00120  -0.00171   1.91788
   A45        1.94281   0.00051   0.00072  -0.00421  -0.00349   1.93932
   A46        1.95707   0.00102   0.00172  -0.00332  -0.00160   1.95547
   A47        1.88556  -0.00045  -0.00049   0.00040  -0.00010   1.88547
   A48        1.90532  -0.00117  -0.00095   0.00459   0.00365   1.90897
   A49        1.86880   0.00011  -0.00033   0.00097   0.00064   1.86944
   A50        1.90169  -0.00005  -0.00080   0.00182   0.00102   1.90271
   A51        1.95202   0.00018   0.00004   0.00073   0.00076   1.95278
   A52        1.92224  -0.00043   0.00050  -0.00157  -0.00107   1.92116
   A53        1.87733   0.00044  -0.00034   0.00151   0.00117   1.87850
   A54        1.92031   0.00025  -0.00053   0.00154   0.00101   1.92132
   A55        1.91571  -0.00039   0.00002  -0.00049  -0.00046   1.91524
   A56        1.87415  -0.00007   0.00032  -0.00183  -0.00151   1.87264
   A57        2.13176  -0.00098  -0.00009  -0.00006  -0.00015   2.13161
   A58        2.13125   0.00320  -0.00012   0.00067   0.00054   2.13179
   A59        2.01915  -0.00226   0.00022  -0.00042  -0.00020   2.01895
   A60        1.98434   0.00007  -0.00058   0.00011  -0.00049   1.98385
   A61        1.90659  -0.00076  -0.00011  -0.00114  -0.00126   1.90533
   A62        1.88828   0.00019  -0.00005   0.00087   0.00083   1.88910
   A63        1.89212   0.00102   0.00065  -0.00100  -0.00035   1.89176
   A64        1.91226  -0.00047  -0.00006   0.00086   0.00080   1.91306
   A65        1.87748  -0.00007   0.00019   0.00033   0.00052   1.87800
   A66        1.93147  -0.00017  -0.00008  -0.00309  -0.00319   1.92828
   A67        1.89894   0.00014   0.00005   0.00158   0.00163   1.90058
   A68        1.92518  -0.00064  -0.00040   0.00057   0.00017   1.92535
   A69        1.90484  -0.00007  -0.00034   0.00352   0.00319   1.90803
   A70        1.91695   0.00083   0.00026  -0.00030  -0.00005   1.91690
   A71        1.88567  -0.00009   0.00053  -0.00218  -0.00166   1.88401
   A72        1.97056   0.00032   0.00065  -0.00011   0.00054   1.97110
   A73        1.90327   0.00005   0.00043  -0.00150  -0.00107   1.90220
   A74        1.87764  -0.00050  -0.00137   0.00503   0.00366   1.88130
   A75        1.92883   0.00013   0.00014  -0.00120  -0.00105   1.92778
   A76        1.90560   0.00008  -0.00007  -0.00106  -0.00114   1.90446
   A77        1.87486  -0.00013   0.00015  -0.00104  -0.00089   1.87397
   A78        2.10892   0.00061   0.00006   0.00016   0.00024   2.10916
   A79        2.08541   0.00011  -0.00002   0.00015   0.00014   2.08555
   A80        2.08813  -0.00072  -0.00002  -0.00040  -0.00044   2.08768
   A81        1.93439  -0.00043   0.00001  -0.00018  -0.00017   1.93422
   A82        1.91489  -0.00042   0.00003  -0.00061  -0.00058   1.91430
   A83        1.92705   0.00238   0.00017   0.00126   0.00143   1.92848
   A84        1.89246   0.00002  -0.00014   0.00020   0.00006   1.89252
   A85        1.90112  -0.00065  -0.00004   0.00000  -0.00004   1.90108
   A86        1.89309  -0.00097  -0.00004  -0.00069  -0.00073   1.89236
   A87        1.92905   0.00015   0.00009  -0.00015  -0.00006   1.92899
   A88        1.95183  -0.00143  -0.00077   0.00052  -0.00024   1.95159
   A89        1.91305   0.00027   0.00022  -0.00037  -0.00015   1.91290
   A90        1.89304   0.00044   0.00010  -0.00014  -0.00004   1.89300
   A91        1.89094   0.00007   0.00013   0.00024   0.00036   1.89131
   A92        1.88436   0.00055   0.00026  -0.00011   0.00015   1.88451
   A93        1.96763  -0.00004  -0.00013  -0.00208  -0.00225   1.96539
   A94        1.89601  -0.00014  -0.00009   0.00086   0.00079   1.89680
   A95        1.91334  -0.00003   0.00019  -0.00141  -0.00121   1.91213
   A96        1.90782   0.00017   0.00025   0.00123   0.00148   1.90931
   A97        1.90116  -0.00005  -0.00018   0.00007  -0.00011   1.90105
   A98        1.87567   0.00010  -0.00003   0.00151   0.00147   1.87714
   A99        2.09878  -0.00022   0.00009  -0.00051  -0.00042   2.09836
   A100       2.10170   0.00012  -0.00003   0.00018   0.00014   2.10184
   A101       2.08270   0.00010  -0.00006   0.00033   0.00027   2.08297
   A102       2.10009  -0.00014  -0.00003  -0.00008  -0.00011   2.09999
   A103       2.10246   0.00022   0.00011  -0.00027  -0.00016   2.10230
   A104       2.08046  -0.00008  -0.00008   0.00035   0.00027   2.08074
   A105       2.14029  -0.00246  -0.00094   0.00208   0.00134   2.14162
   A106       2.06296  -0.00029   0.00020  -0.00289  -0.00250   2.06046
   A107       2.07478   0.00300   0.00125  -0.00006   0.00138   2.07615
   A108       2.09964  -0.00001   0.00002  -0.00015  -0.00013   2.09951
   A109       2.08879   0.00006  -0.00005   0.00043   0.00039   2.08917
   A110       2.09476  -0.00004   0.00003  -0.00029  -0.00025   2.09451
   A111       2.09871  -0.00002   0.00006  -0.00026  -0.00020   2.09851
   A112       2.09416   0.00011  -0.00011   0.00057   0.00047   2.09463
   A113       2.09031  -0.00009   0.00005  -0.00031  -0.00027   2.09005
   A114       2.10067   0.00007   0.00005  -0.00022  -0.00018   2.10050
   A115       2.08780   0.00000  -0.00008   0.00047   0.00039   2.08819
   A116       2.09469  -0.00008   0.00003  -0.00024  -0.00021   2.09447
   A117       2.10040   0.00004   0.00005  -0.00020  -0.00015   2.10025
   A118       2.09018   0.00007  -0.00011   0.00061   0.00049   2.09068
   A119       2.09260  -0.00011   0.00006  -0.00041  -0.00034   2.09226
   A120       1.92094   0.00421   0.00046   0.00656   0.00703   1.92796
   A121       1.88608  -0.00146   0.00009  -0.00304  -0.00294   1.88315
   A122       1.95425  -0.00111  -0.00022  -0.00019  -0.00042   1.95382
   A123       1.89011  -0.00080   0.00090  -0.00759  -0.00668   1.88342
   A124       1.88764  -0.00083  -0.00059   0.00155   0.00095   1.88859
   A125       1.92398   0.00004  -0.00060   0.00249   0.00188   1.92586
   A126       2.09660  -0.00006   0.00003  -0.00013  -0.00010   2.09650
   A127       2.09198   0.00002  -0.00003   0.00012   0.00009   2.09207
   A128       2.09461   0.00004   0.00000   0.00001   0.00001   2.09462
   A129       2.09714  -0.00003  -0.00001  -0.00001  -0.00002   2.09712
   A130       2.09039  -0.00003   0.00002   0.00002   0.00004   2.09043
   A131       2.09565   0.00006  -0.00001   0.00000  -0.00001   2.09564
   A132       2.09159   0.00002  -0.00004   0.00022   0.00018   2.09177
   A133       2.09564   0.00000   0.00002  -0.00008  -0.00006   2.09559
   A134       2.09595  -0.00002   0.00002  -0.00014  -0.00013   2.09583
   A135       2.09682  -0.00001   0.00003  -0.00011  -0.00008   2.09674
   A136       2.09180   0.00002  -0.00003   0.00015   0.00011   2.09192
   A137       2.09456  -0.00001   0.00001  -0.00004  -0.00003   2.09452
   A138       2.09714  -0.00003   0.00001  -0.00009  -0.00008   2.09706
   A139       2.09172   0.00002  -0.00001   0.00010   0.00009   2.09181
   A140       2.09432   0.00001   0.00000  -0.00001  -0.00001   2.09431
   A141       2.09086   0.00001  -0.00005   0.00027   0.00022   2.09108
   A142       2.09590  -0.00001   0.00003  -0.00014  -0.00011   2.09580
   A143       2.09642   0.00000   0.00002  -0.00014  -0.00011   2.09630
   A144       2.03589   0.00075  -0.00120   0.01053   0.00933   2.04522
   A145       2.12330  -0.00052   0.00089  -0.00759  -0.00670   2.11659
   A146       2.12005  -0.00023   0.00038  -0.00320  -0.00282   2.11723
   A147       2.06816   0.00046   0.00008   0.00003   0.00010   2.06827
   A148       2.10388   0.00027  -0.00065   0.00557   0.00492   2.10880
   A149       2.11109  -0.00073   0.00057  -0.00560  -0.00503   2.10606
   A150       2.06557   0.00037  -0.00045   0.00315   0.00270   2.06827
   A151       2.12155   0.00029   0.00014  -0.00079  -0.00065   2.12090
   A152       2.09606  -0.00066   0.00031  -0.00237  -0.00206   2.09399
   A153       2.10414   0.00006  -0.00037   0.00226   0.00189   2.10603
   A154       2.08437   0.00016   0.00007  -0.00042  -0.00035   2.08401
   A155       2.09467  -0.00022   0.00030  -0.00183  -0.00153   2.09314
   A156       2.10760  -0.00024   0.00017  -0.00094  -0.00078   2.10683
   A157       2.08361  -0.00002  -0.00011   0.00066   0.00055   2.08416
   A158       2.09195   0.00027  -0.00006   0.00028   0.00022   2.09217
   A159       1.94017   0.00025   0.00010  -0.00057  -0.00047   1.93970
   A160       1.92210  -0.00026   0.00003  -0.00073  -0.00070   1.92140
   A161       1.92489  -0.00014  -0.00027   0.00103   0.00076   1.92565
   A162       1.89362  -0.00003   0.00031  -0.00137  -0.00106   1.89256
   A163       1.89721  -0.00012   0.00024  -0.00155  -0.00131   1.89590
   A164       1.88459   0.00030  -0.00041   0.00325   0.00284   1.88743
   A165       1.93756  -0.00004  -0.00005  -0.00020  -0.00025   1.93730
   A166       1.92770   0.00000   0.00001  -0.00006  -0.00005   1.92765
   A167       1.92348  -0.00003   0.00006  -0.00040  -0.00034   1.92315
   A168       1.89334  -0.00002   0.00002  -0.00020  -0.00018   1.89315
   A169       1.88942   0.00001  -0.00001   0.00019   0.00018   1.88960
   A170       1.89114   0.00009  -0.00003   0.00070   0.00067   1.89182
   A171       2.10068  -0.00042   0.00019  -0.00133  -0.00114   2.09954
   A172       2.09233   0.00000  -0.00008   0.00048   0.00040   2.09272
   A173       2.09018   0.00042  -0.00011   0.00084   0.00073   2.09091
    D1       -0.99109   0.00035  -0.00422   0.01921   0.01500  -0.97609
    D2       -3.11736   0.00086  -0.00157   0.00804   0.00647  -3.11089
    D3        1.12167   0.00057  -0.00241   0.01356   0.01115   1.13282
    D4        2.52070  -0.00004  -0.00156  -0.01721  -0.01876   2.50194
    D5       -1.70168   0.00051  -0.00015  -0.02444  -0.02460  -1.72628
    D6        0.42053  -0.00113  -0.00098  -0.02351  -0.02450   0.39604
    D7       -2.09251   0.00043   0.00102   0.01597   0.01699  -2.07552
    D8        1.14319   0.00043   0.00018   0.01923   0.01941   1.16259
    D9        0.88924   0.00090  -0.00596  -0.00463  -0.01058   0.87865
   D10       -1.26173  -0.00276  -0.00575  -0.00571  -0.01146  -1.27319
   D11        2.97255  -0.00067  -0.00659  -0.00416  -0.01075   2.96180
   D12       -2.23647   0.00050  -0.00089  -0.00797  -0.00886  -2.24533
   D13        1.89575  -0.00316  -0.00068  -0.00905  -0.00973   1.88602
   D14       -0.15316  -0.00107  -0.00152  -0.00751  -0.00902  -0.16218
   D15        2.75128  -0.00076   0.00262  -0.00430  -0.00168   2.74960
   D16       -1.41606   0.00004   0.00298  -0.00635  -0.00337  -1.41943
   D17        0.62291  -0.00035   0.00312  -0.00610  -0.00298   0.61994
   D18       -0.40657  -0.00034  -0.00257  -0.00087  -0.00344  -0.41002
   D19        1.70927   0.00047  -0.00221  -0.00292  -0.00513   1.70414
   D20       -2.53495   0.00008  -0.00207  -0.00267  -0.00474  -2.53968
   D21       -0.06752   0.00027  -0.00199   0.00546   0.00348  -0.06404
   D22        3.11517   0.00036  -0.00259   0.00786   0.00528   3.12045
   D23        3.09026  -0.00009   0.00319   0.00205   0.00525   3.09551
   D24       -0.01023   0.00000   0.00259   0.00445   0.00704  -0.00319
   D25       -1.25352   0.00017   0.00114  -0.00500  -0.00386  -1.25738
   D26        2.84792  -0.00007  -0.00045  -0.00273  -0.00318   2.84474
   D27        0.79022  -0.00037   0.00004  -0.00306  -0.00302   0.78720
   D28        2.06013   0.00009  -0.00026  -0.01177  -0.01202   2.04810
   D29       -0.12162  -0.00015  -0.00184  -0.00950  -0.01134  -0.13296
   D30       -2.17932  -0.00045  -0.00135  -0.00983  -0.01118  -2.19050
   D31        0.18076  -0.00115  -0.00114  -0.01344  -0.01459   0.16617
   D32       -3.00842  -0.00194  -0.00078  -0.00914  -0.00992  -3.01834
   D33       -3.13540  -0.00107   0.00027  -0.00661  -0.00634   3.14145
   D34       -0.04139  -0.00187   0.00063  -0.00230  -0.00168  -0.04307
   D35       -1.89703   0.00028  -0.00283  -0.02048  -0.02331  -1.92033
   D36        2.24594   0.00069  -0.00339  -0.02096  -0.02434   2.22160
   D37        0.15007   0.00043  -0.00312  -0.02144  -0.02456   0.12551
   D38        1.10973  -0.00034  -0.00286  -0.01409  -0.01695   1.09278
   D39       -1.03049   0.00007  -0.00342  -0.01457  -0.01799  -1.04847
   D40       -3.12635  -0.00020  -0.00316  -0.01505  -0.01821   3.13862
   D41       -0.04572   0.00078   0.00473  -0.00179   0.00297  -0.04275
   D42       -3.07626  -0.00201  -0.00686   0.00772   0.00084  -3.07542
   D43       -3.04983   0.00144   0.00477  -0.00822  -0.00343  -3.05326
   D44        0.20281  -0.00134  -0.00681   0.00129  -0.00555   0.19726
   D45       -3.11723   0.00027  -0.00202  -0.01055  -0.01256  -3.12979
   D46       -0.01618   0.00020  -0.00142  -0.01291  -0.01433  -0.03051
   D47        0.10393   0.00003  -0.00074  -0.00717  -0.00791   0.09603
   D48       -3.07820  -0.00005  -0.00015  -0.00953  -0.00967  -3.08788
   D49        0.45316  -0.00029   0.00042   0.01623   0.01665   0.46982
   D50        2.57044  -0.00020   0.00059   0.01703   0.01762   2.58806
   D51       -1.66783  -0.00018   0.00061   0.01855   0.01916  -1.64867
   D52       -2.77018  -0.00002  -0.00090   0.01283   0.01193  -2.75825
   D53       -0.65290   0.00007  -0.00074   0.01363   0.01289  -0.64001
   D54        1.39201   0.00009  -0.00072   0.01514   0.01443   1.40645
   D55       -0.84920  -0.00105  -0.00902  -0.03297  -0.04200  -0.89120
   D56        1.26159  -0.00090  -0.00951  -0.02286  -0.03237   1.22922
   D57       -2.99009  -0.00064  -0.00923  -0.02702  -0.03625  -3.02634
   D58        1.35048  -0.00044  -0.00808  -0.03262  -0.04070   1.30979
   D59       -2.82191  -0.00028  -0.00856  -0.02251  -0.03107  -2.85298
   D60       -0.79041  -0.00003  -0.00828  -0.02667  -0.03495  -0.82535
   D61       -2.90916  -0.00007  -0.00868  -0.03098  -0.03966  -2.94881
   D62       -0.79836   0.00008  -0.00916  -0.02087  -0.03003  -0.82840
   D63        1.23314   0.00034  -0.00888  -0.02503  -0.03391   1.19923
   D64       -1.08803  -0.00080   0.00124   0.01897   0.02021  -1.06782
   D65        1.05309  -0.00065   0.00095   0.02033   0.02127   1.07436
   D66        3.09040  -0.00072   0.00141   0.01815   0.01955   3.10996
   D67        2.97137   0.00120   0.00072   0.01683   0.01755   2.98892
   D68       -1.17069   0.00135   0.00043   0.01818   0.01861  -1.15208
   D69        0.86662   0.00129   0.00089   0.01601   0.01690   0.88352
   D70        0.96778  -0.00013   0.00141   0.01527   0.01668   0.98445
   D71        3.10890   0.00002   0.00112   0.01662   0.01774   3.12664
   D72       -1.13697  -0.00005   0.00157   0.01445   0.01602  -1.12095
   D73        3.07607  -0.00059  -0.00307   0.03182   0.02875   3.10482
   D74        0.96754  -0.00018  -0.00368   0.03334   0.02966   0.99720
   D75       -1.15100   0.00118  -0.00227   0.03357   0.03131  -1.11969
   D76       -1.05392  -0.00313  -0.00382   0.03162   0.02779  -1.02612
   D77        3.12074  -0.00272  -0.00444   0.03315   0.02871  -3.13374
   D78        1.00220  -0.00136  -0.00302   0.03337   0.03036   1.03256
   D79        0.98030  -0.00079  -0.00162   0.02857   0.02694   1.00724
   D80       -1.12822  -0.00038  -0.00224   0.03010   0.02786  -1.10037
   D81        3.03642   0.00097  -0.00082   0.03033   0.02951   3.06593
   D82        1.88077  -0.00249  -0.01548  -0.05235  -0.06783   1.81294
   D83       -1.21325  -0.00156  -0.01584  -0.05663  -0.07248  -1.28573
   D84       -0.33565  -0.00010  -0.01479  -0.05172  -0.06652  -0.40217
   D85        2.85352   0.00082  -0.01516  -0.05600  -0.07116   2.78235
   D86       -2.35441  -0.00258  -0.01631  -0.04970  -0.06600  -2.42041
   D87        0.83476  -0.00166  -0.01667  -0.05398  -0.07065   0.76411
   D88        1.81801  -0.00141  -0.00986  -0.06944  -0.07930   1.73871
   D89       -2.39482  -0.00089  -0.01127  -0.06177  -0.07302  -2.46784
   D90       -0.28520  -0.00111  -0.01108  -0.06745  -0.07852  -0.36371
   D91       -0.28965  -0.00072  -0.01005  -0.07585  -0.08592  -0.37557
   D92        1.78071  -0.00021  -0.01145  -0.06818  -0.07964   1.70106
   D93       -2.39285  -0.00042  -0.01127  -0.07386  -0.08514  -2.47799
   D94       -2.35853  -0.00031  -0.00966  -0.07287  -0.08254  -2.44107
   D95       -0.28817   0.00020  -0.01107  -0.06520  -0.07626  -0.36443
   D96        1.82145  -0.00001  -0.01088  -0.07088  -0.08175   1.73970
   D97       -1.16981  -0.00030  -0.00067  -0.00027  -0.00094  -1.17075
   D98        0.99991   0.00052   0.00135  -0.00414  -0.00279   0.99712
   D99        3.05612  -0.00010  -0.00027   0.00100   0.00072   3.05685
   D100       2.99650  -0.00049   0.00091  -0.01188  -0.01097   2.98553
   D101      -1.11696   0.00034   0.00292  -0.01575  -0.01283  -1.12979
   D102       0.93925  -0.00029   0.00130  -0.01062  -0.00931   0.92994
   D103       0.87604  -0.00044   0.00014  -0.00409  -0.00395   0.87209
   D104       3.04576   0.00039   0.00215  -0.00796  -0.00581   3.03996
   D105      -1.18121  -0.00024   0.00053  -0.00283  -0.00229  -1.18350
   D106      -1.04833   0.00100   0.00256   0.00433   0.00689  -1.04144
   D107      -3.13774   0.00151   0.00270   0.00459   0.00730  -3.13044
   D108       1.05985   0.00148   0.00263   0.00505   0.00768   1.06753
   D109       1.08598  -0.00084   0.00217   0.00383   0.00600   1.09197
   D110      -1.00344  -0.00033   0.00231   0.00409   0.00640  -0.99703
   D111      -3.08903  -0.00035   0.00224   0.00455   0.00679  -3.08224
   D112      -3.10364  -0.00092   0.00225   0.00049   0.00274  -3.10090
   D113       1.09013  -0.00041   0.00239   0.00076   0.00315   1.09328
   D114      -0.99546  -0.00044   0.00231   0.00122   0.00353  -0.99193
   D115       0.94647   0.00113   0.00266  -0.00119   0.00148   0.94795
   D116      -1.16451   0.00143   0.00300  -0.00126   0.00173  -1.16277
   D117       3.02950   0.00148   0.00302  -0.00122   0.00180   3.03130
   D118      -1.15647  -0.00118   0.00210  -0.00251  -0.00041  -1.15688
   D119       3.01574  -0.00088   0.00243  -0.00258  -0.00016   3.01558
   D120       0.92656  -0.00083   0.00245  -0.00254  -0.00009   0.92647
   D121       3.04917  -0.00060   0.00137   0.00069   0.00206   3.05123
   D122       0.93819  -0.00030   0.00170   0.00061   0.00231   0.94050
   D123      -1.15098  -0.00025   0.00172   0.00066   0.00238  -1.14861
   D124      -1.02381  -0.00013   0.00562   0.00912   0.01474  -1.00906
   D125       1.12739   0.00030   0.00658   0.00640   0.01298   1.14037
   D126      -3.12754  -0.00010   0.00624   0.00710   0.01334  -3.11420
   D127       3.09806  -0.00064   0.00420   0.01349   0.01769   3.11574
   D128      -1.03393  -0.00022   0.00515   0.01077   0.01592  -1.01801
   D129       0.99433  -0.00061   0.00481   0.01147   0.01629   1.01061
   D130       1.06265  -0.00009   0.00555   0.00874   0.01430   1.07694
   D131      -3.06934   0.00034   0.00650   0.00602   0.01253  -3.05681
   D132      -1.04108  -0.00006   0.00617   0.00673   0.01289  -1.02819
   D133      -1.42805  -0.00026  -0.00015  -0.00803  -0.00818  -1.43623
   D134       1.71963  -0.00030  -0.00021  -0.00800  -0.00821   1.71143
   D135       2.71291  -0.00003  -0.00044  -0.00761  -0.00805   2.70486
   D136      -0.42259  -0.00007  -0.00050  -0.00758  -0.00808  -0.43067
   D137       0.65420   0.00014  -0.00053  -0.00600  -0.00653   0.64766
   D138      -2.48130   0.00010  -0.00059  -0.00597  -0.00656  -2.48787
   D139       0.80925   0.00018   0.00156   0.00388   0.00543   0.81468
   D140       2.90199   0.00007   0.00112   0.00732   0.00843   2.91043
   D141      -1.31566  -0.00033   0.00156   0.00595   0.00750  -1.30816
   D142      -1.31466   0.00037   0.00162   0.00599   0.00761  -1.30705
   D143       0.77809   0.00026   0.00118   0.00943   0.01061   0.78870
   D144       2.84362  -0.00014   0.00162   0.00806   0.00968   2.85330
   D145       2.92427   0.00013   0.00105   0.00570   0.00674   2.93102
   D146      -1.26617   0.00002   0.00061   0.00914   0.00975  -1.25642
   D147       0.79936  -0.00038   0.00105   0.00777   0.00882   0.80818
   D148      -0.82665   0.00007  -0.00061  -0.01091  -0.01152  -0.83817
   D149      -2.93720   0.00016  -0.00058  -0.01149  -0.01207  -2.94927
   D150       1.30124  -0.00003  -0.00059  -0.01404  -0.01462   1.28661
   D151      -2.91586   0.00005  -0.00041  -0.01318  -0.01358  -2.92944
   D152       1.25678   0.00014  -0.00038  -0.01376  -0.01413   1.24264
   D153      -0.78797  -0.00005  -0.00038  -0.01630  -0.01668  -0.80466
   D154       1.30310  -0.00028  -0.00100  -0.01245  -0.01344   1.28965
   D155      -0.80746  -0.00020  -0.00097  -0.01303  -0.01400  -0.82145
   D156      -2.85220  -0.00038  -0.00097  -0.01557  -0.01654  -2.86875
   D157      -1.24882   0.00041   0.00050  -0.01401  -0.01351  -1.26232
   D158       1.91252   0.00043   0.00065  -0.01434  -0.01368   1.89884
   D159       2.89741   0.00002  -0.00063  -0.01109  -0.01172   2.88569
   D160      -0.22444   0.00004  -0.00048  -0.01142  -0.01190  -0.23634
   D161       0.83887   0.00005  -0.00086  -0.00846  -0.00932   0.82955
   D162      -2.28298   0.00007  -0.00071  -0.00879  -0.00950  -2.29248
   D163      -3.13543  -0.00004  -0.00003  -0.00037  -0.00040  -3.13583
   D164       0.00591  -0.00003   0.00001  -0.00042  -0.00041   0.00550
   D165       0.00013   0.00000   0.00003  -0.00040  -0.00037  -0.00023
   D166       3.14147   0.00001   0.00007  -0.00045  -0.00038   3.14109
   D167       3.13649   0.00005   0.00005   0.00014   0.00018   3.13667
   D168      -0.00156  -0.00004   0.00009  -0.00001   0.00008  -0.00148
   D169       0.00093   0.00001  -0.00001   0.00017   0.00016   0.00109
   D170      -3.13712  -0.00008   0.00004   0.00002   0.00006  -3.13706
   D171      -3.11926  -0.00007   0.00013  -0.00170  -0.00157  -3.12083
   D172       0.03053  -0.00006   0.00033  -0.00229  -0.00196   0.02857
   D173       0.00283  -0.00009  -0.00002  -0.00138  -0.00140   0.00143
   D174      -3.13056  -0.00008   0.00019  -0.00198  -0.00179  -3.13235
   D175       3.11831   0.00004  -0.00018   0.00176   0.00157   3.11989
   D176      -0.02309   0.00013   0.00021   0.00097   0.00118  -0.02191
   D177      -0.00376   0.00006  -0.00004   0.00144   0.00140  -0.00235
   D178       3.13803   0.00016   0.00036   0.00065   0.00100   3.13904
   D179       2.78932  -0.00172  -0.00581   0.01827   0.01247   2.80179
   D180       0.73101  -0.00187  -0.00672   0.02268   0.01599   0.74700
   D181      -1.35394  -0.00100  -0.00617   0.02312   0.01698  -1.33697
   D182      -0.45837   0.00079   0.00527   0.00950   0.01473  -0.44364
   D183      -2.51669   0.00064   0.00436   0.01391   0.01825  -2.49844
   D184       1.68155   0.00152   0.00491   0.01434   0.01923   1.70078
   D185      -0.00101   0.00000  -0.00002   0.00026   0.00025  -0.00076
   D186       3.14002   0.00001   0.00000   0.00022   0.00022   3.14024
   D187       3.14084  -0.00001  -0.00006   0.00031   0.00026   3.14109
   D188      -0.00132   0.00001  -0.00004   0.00027   0.00023  -0.00109
   D189      -0.00112  -0.00001  -0.00002   0.00020   0.00018  -0.00094
   D190       3.13956  -0.00006   0.00002   0.00012   0.00013   3.13969
   D191       3.13693   0.00007  -0.00007   0.00035   0.00028   3.13721
   D192      -0.00557   0.00003  -0.00003   0.00026   0.00023  -0.00534
   D193       0.00036   0.00004   0.00006   0.00027   0.00033   0.00070
   D194      -3.13956   0.00003   0.00000   0.00063   0.00063  -3.13892
   D195       3.13372   0.00004  -0.00014   0.00087   0.00073   3.13445
   D196      -0.00620   0.00003  -0.00020   0.00123   0.00103  -0.00517
   D197       0.00150   0.00000   0.00004  -0.00039  -0.00034   0.00116
   D198      -3.14006   0.00002   0.00014  -0.00064  -0.00050  -3.14056
   D199      -3.14029  -0.00009  -0.00035   0.00041   0.00006  -3.14024
   D200       0.00133  -0.00007  -0.00026   0.00015  -0.00010   0.00123
   D201       0.00082   0.00000  -0.00002   0.00011   0.00009   0.00091
   D202       3.14157   0.00003   0.00003  -0.00014  -0.00012   3.14145
   D203      -3.14021  -0.00002  -0.00003   0.00015   0.00011  -3.14009
   D204       0.00054   0.00001   0.00001  -0.00010  -0.00009   0.00045
   D205       0.00024   0.00001   0.00004  -0.00034  -0.00030  -0.00006
   D206      -3.14051  -0.00002  -0.00001  -0.00009  -0.00009  -3.14060
   D207      -3.14043   0.00006   0.00000  -0.00025  -0.00026  -3.14069
   D208       0.00200   0.00003  -0.00005   0.00000  -0.00005   0.00195
   D209      -0.00265   0.00003  -0.00006   0.00080   0.00074  -0.00191
   D210       3.13963  -0.00001  -0.00011   0.00054   0.00042   3.14006
   D211       3.13726   0.00003   0.00001   0.00044   0.00044   3.13770
   D212      -0.00364   0.00000  -0.00005   0.00018   0.00013  -0.00351
   D213       0.00173  -0.00005   0.00000  -0.00074  -0.00074   0.00099
   D214      -3.14056  -0.00001   0.00006  -0.00048  -0.00042  -3.14098
   D215      -3.13990  -0.00007  -0.00010  -0.00048  -0.00058  -3.14048
   D216       0.00100  -0.00003  -0.00004  -0.00022  -0.00026   0.00074
   D217      -3.05966  -0.00002  -0.00099   0.00232   0.00134  -3.05833
   D218       0.07180   0.00003  -0.00046   0.00102   0.00057   0.07237
   D219      -0.01199  -0.00004  -0.00013  -0.00118  -0.00131  -0.01329
   D220       3.11947   0.00001   0.00041  -0.00249  -0.00208   3.11740
   D221       3.06142   0.00010   0.00070  -0.00058   0.00012   3.06155
   D222      -0.07595   0.00017   0.00081   0.00144   0.00225  -0.07369
   D223       0.01846   0.00005  -0.00011   0.00212   0.00201   0.02046
   D224      -3.11891   0.00012   0.00000   0.00414   0.00414  -3.11477
   D225      -0.00348   0.00001   0.00028  -0.00056  -0.00027  -0.00375
   D226       3.14052   0.00000   0.00040  -0.00118  -0.00078   3.13973
   D227      -3.13490  -0.00005  -0.00025   0.00068   0.00043  -3.13446
   D228       0.00910  -0.00006  -0.00014   0.00006  -0.00008   0.00902
   D229      -2.95215  -0.00005   0.00100   0.00830   0.00930  -2.94285
   D230       1.23176  -0.00001   0.00052   0.01088   0.01140   1.24316
   D231      -0.84652  -0.00013   0.00118   0.00667   0.00785  -0.83867
   D232       0.17905   0.00001   0.00155   0.00700   0.00855   0.18760
   D233      -1.92022   0.00005   0.00107   0.00958   0.01065  -1.90957
   D234       2.28469  -0.00007   0.00173   0.00537   0.00710   2.29178
   D235      -0.00967  -0.00003   0.00020  -0.00132  -0.00112  -0.01079
   D236       3.13943  -0.00003   0.00018  -0.00082  -0.00064   3.13880
   D237       3.12776  -0.00009   0.00009  -0.00330  -0.00321   3.12455
   D238      -0.00632  -0.00009   0.00007  -0.00280  -0.00273  -0.00905
   D239       2.79809   0.00002  -0.00045  -0.00324  -0.00368   2.79441
   D240       0.69718   0.00008  -0.00045  -0.00281  -0.00325   0.69393
   D241      -1.39187  -0.00001  -0.00046  -0.00339  -0.00384  -1.39571
   D242      -0.33920   0.00009  -0.00033  -0.00120  -0.00153  -0.34074
   D243      -2.44012   0.00015  -0.00033  -0.00077  -0.00110  -2.44122
   D244       1.75402   0.00006  -0.00034  -0.00135  -0.00169   1.75233
   D245       0.01211   0.00000  -0.00021   0.00138   0.00117   0.01328
   D246      -3.13247  -0.00003   0.00010  -0.00113  -0.00103  -3.13351
   D247      -3.13190   0.00001  -0.00033   0.00201   0.00168  -3.13022
   D248       0.00670  -0.00002  -0.00002  -0.00050  -0.00052   0.00618
   D249      -0.00537   0.00001  -0.00004  -0.00042  -0.00046  -0.00583
   D250       3.13920   0.00004  -0.00034   0.00209   0.00175   3.14095
   D251       3.12867   0.00000  -0.00002  -0.00092  -0.00094   3.12773
   D252      -0.00994   0.00004  -0.00033   0.00159   0.00126  -0.00868
         Item               Value     Threshold  Converged?
 Maximum Force            0.007343     0.000450     NO 
 RMS     Force            0.000980     0.000300     NO 
 Maximum Displacement     0.834884     0.001800     NO 
 RMS     Displacement     0.177674     0.001200     NO 
 Predicted change in Energy=-9.490022D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.065910   -0.101132   -1.354571
      2          8           0       -3.543813    0.259131   -2.413016
      3          8           0       -3.727189   -2.543634    1.571855
      4          8           0        2.441892    2.220645    2.035810
      5          8           0        3.706504   -1.038125    1.418402
      6          7           0       -3.220131   -2.545256   -0.691195
      7          7           0       -3.122114    0.465779   -0.166434
      8          7           0        2.184166    0.883761    0.182388
      9          7           0       -2.047302   -3.946076    0.894047
     10          6           0       -2.629688    1.825630   -0.237217
     11          6           0       -4.269506   -1.587615   -0.962395
     12          6           0       -1.290188    1.975117   -0.980685
     13          6           0       -0.192278    1.027627   -0.495825
     14          6           0       -5.223926   -1.961466   -2.118369
     15          6           0        1.206697    1.718005   -0.468059
     16          6           0       -2.516008    2.463056    1.160650
     17          6           0       -3.630983   -0.199133   -1.256816
     18          6           0       -2.396611   -3.026017   -1.777650
     19          6           0       -1.041341   -3.570156   -1.326033
     20          6           0        1.624553    2.085323   -1.906234
     21          6           0       -3.037512   -3.005304    0.625237
     22          6           0       -6.291477   -0.890689   -2.242200
     23          6           0       -5.887230   -3.302703   -1.884260
     24          6           0       -1.212505   -4.506303   -0.129997
     25          6           0       -3.834709    2.535796    1.845974
     26          6           0        2.935423    2.781695   -1.968278
     27          6           0        2.724089    1.178885    1.407157
     28          6           0       -4.718961    3.583889    1.563536
     29          6           0       -4.201045    1.562890    2.783728
     30          6           0        3.054000    4.106355   -1.528481
     31          6           0        4.060496    2.131000   -2.487885
     32          6           0        3.813713    0.277666    1.968156
     33          6           0       -5.951480    3.657131    2.209642
     34          6           0       -5.435177    1.638167    3.427816
     35          6           0       -6.311831    2.684448    3.142167
     36          6           0        4.277415    4.768119   -1.609309
     37          6           0        5.283415    2.795472   -2.568839
     38          6           0        5.394155    4.114447   -2.130647
     39          6           0        4.933907   -1.653004    1.178862
     40          6           0        5.228171   -2.007046   -0.155250
     41          6           0        5.788572   -2.012426    2.235516
     42          6           0        6.404541   -2.714932   -0.413126
     43          6           0        6.962579   -2.714203    1.936137
     44          6           0        4.304931   -1.649295   -1.256656
     45          6           0        5.467551   -1.672526    3.640881
     46          6           0        7.269001   -3.058887    0.624306
     47          1           0       -3.386898    2.428207   -0.832833
     48          1           0       -4.910082   -1.489590   -0.029203
     49          1           0       -1.472878    1.790510   -2.076463
     50          1           0       -0.965324    3.040581   -0.857938
     51          1           0       -0.436737    0.669028    0.544302
     52          1           0       -4.632403   -1.988535   -3.077037
     53          1           0        1.097356    2.668794    0.138981
     54          1           0       -3.217389    0.057659    0.736595
     55          1           0       -1.785845    1.885746    1.789437
     56          1           0       -2.098984    3.497689    1.029838
     57          1           0       -2.946454   -3.847841   -2.324362
     58          1           0       -2.240458   -2.175956   -2.506123
     59          1           0       -0.576072   -4.133982   -2.174223
     60          1           0       -0.354167   -2.726528   -1.053639
     61          1           0        1.646166    1.151681   -2.530254
     62          1           0        0.830613    2.756391   -2.333754
     63          1           0       -6.876058   -0.801298   -1.294495
     64          1           0       -6.995732   -1.155266   -3.068025
     65          1           0       -5.827838    0.098809   -2.476784
     66          1           0       -6.399450   -3.318412   -0.891331
     67          1           0       -5.150923   -4.140538   -1.915305
     68          1           0       -6.652453   -3.486329   -2.678261
     69          1           0       -0.200962   -4.735901    0.313859
     70          1           0       -1.656909   -5.482191   -0.488829
     71          1           0        2.384855    0.006066   -0.239246
     72          1           0       -1.980580   -4.280144    1.824904
     73          1           0       -0.936013   -0.517717   -1.398882
     74          1           0       -4.436791    4.351987    0.827856
     75          1           0       -3.512259    0.736160    3.017404
     76          1           0        2.176091    4.621800   -1.110644
     77          1           0        3.978505    1.089478   -2.833897
     78          1           0        3.661552    0.201483    3.076512
     79          1           0        4.807003    0.746569    1.742333
     80          1           0       -6.640341    4.484401    1.983314
     81          1           0       -5.716071    0.868446    4.162161
     82          1           0       -7.284738    2.743163    3.651689
     83          1           0        4.361999    5.807557   -1.259243
     84          1           0        6.162199    2.276824   -2.979436
     85          1           0        6.358957    4.638071   -2.195365
     86          1           0        6.647711   -3.000110   -1.447737
     87          1           0        7.643988   -3.000850    2.751807
     88          1           0        4.582453   -2.176040   -2.202160
     89          1           0        4.338233   -0.544579   -1.443431
     90          1           0        3.253254   -1.926104   -0.988344
     91          1           0        6.038317   -2.321394    4.350496
     92          1           0        4.373759   -1.809660    3.836367
     93          1           0        5.732913   -0.604727    3.850617
     94          1           0        8.196166   -3.610032    0.405959
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0844060      0.0389299      0.0338168
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3198.3969545716 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.242007532666     A.U. after   15 cycles
             Convg  =    0.4218D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000191688    0.001298838   -0.001464596
      2        8           0.000932803   -0.001641762   -0.000539263
      3        8          -0.000026736    0.000018855   -0.000106707
      4        8          -0.002360128    0.003232553   -0.000953677
      5        8           0.003804924    0.000300341    0.001356103
      6        7          -0.000164747   -0.000095638    0.002430792
      7        7           0.001089287   -0.002235781   -0.000152132
      8        7           0.000151132    0.000587065   -0.000313288
      9        7           0.000023854   -0.000666249    0.001857233
     10        6          -0.000089873    0.001330398    0.001119313
     11        6           0.000609285   -0.000338924    0.000906959
     12        6           0.003459330   -0.000301234    0.001481066
     13        6          -0.003480271   -0.001397981    0.000402017
     14        6           0.000249205   -0.000451007    0.000034617
     15        6          -0.003550238    0.001247125    0.001681692
     16        6          -0.000233924    0.000553546   -0.000654278
     17        6           0.001095127    0.000066488   -0.000671412
     18        6          -0.000588557    0.001152012   -0.001261946
     19        6          -0.000725077    0.001081780   -0.000555404
     20        6          -0.000856446    0.001182270    0.000205884
     21        6           0.000458127   -0.002213009   -0.000928824
     22        6          -0.001083761    0.000484027    0.000353174
     23        6           0.000619523   -0.000349204   -0.000409075
     24        6          -0.000572905    0.000454503   -0.000722638
     25        6           0.000433482   -0.000103977   -0.000199345
     26        6          -0.000113120   -0.000693658   -0.000530518
     27        6          -0.002349753   -0.008158484   -0.000860427
     28        6           0.000017483   -0.000209051    0.000025384
     29        6           0.000082606   -0.000235066    0.000017346
     30        6           0.000044691    0.000132121   -0.000001821
     31        6          -0.000036930   -0.000013368   -0.000106057
     32        6           0.002950660    0.001547883   -0.000312555
     33        6          -0.000219459   -0.000066305   -0.000015529
     34        6           0.000087494    0.000180079   -0.000025377
     35        6          -0.000077850    0.000174876   -0.000062916
     36        6          -0.000072278   -0.000006892   -0.000150886
     37        6           0.000166634   -0.000137043    0.000046274
     38        6           0.000027861   -0.000156196   -0.000056063
     39        6           0.000053468   -0.000973608    0.002344721
     40        6          -0.001125350    0.001774072   -0.001861762
     41        6          -0.000373436    0.000374965   -0.000400036
     42        6          -0.000028720   -0.000384914    0.000374904
     43        6           0.000082560    0.000871274   -0.001197953
     44        6           0.000151583    0.000394712   -0.000719320
     45        6           0.000010774   -0.000010922    0.000146343
     46        6           0.000456366   -0.000734839    0.001024845
     47        1           0.000350761   -0.000029527   -0.000128250
     48        1           0.000646962    0.000292601    0.000118578
     49        1           0.000816768    0.000348019   -0.001118389
     50        1           0.000872773   -0.000797941    0.000472823
     51        1           0.000490480    0.000487523   -0.000246368
     52        1           0.000402174    0.000774494   -0.000115571
     53        1           0.000189752   -0.000414909    0.000772812
     54        1          -0.000794834    0.000670858   -0.000329242
     55        1          -0.000321153   -0.000198623    0.000013899
     56        1          -0.000145814    0.000405462   -0.000025676
     57        1          -0.000810938    0.000476828   -0.000221038
     58        1           0.000503080    0.000381394   -0.000352774
     59        1          -0.000184183    0.000378620   -0.000330901
     60        1          -0.000702561   -0.000473477   -0.000009517
     61        1          -0.000207105    0.000160332    0.000123160
     62        1           0.000483507    0.001076838   -0.000002452
     63        1           0.000086910   -0.000186215    0.000259989
     64        1           0.000068344   -0.000029052   -0.000204763
     65        1          -0.001028619    0.000743411    0.000498837
     66        1           0.000152692   -0.000231642    0.000078518
     67        1           0.000111215   -0.000845016   -0.000605990
     68        1           0.000110437   -0.000011444   -0.000119422
     69        1          -0.000617948    0.000246663   -0.000033531
     70        1          -0.000143805   -0.000176917   -0.000360658
     71        1           0.000310985    0.000287828    0.000755229
     72        1           0.000001261   -0.000225689    0.000187447
     73        1          -0.000784121   -0.000345329    0.000741387
     74        1           0.000054901    0.000125243   -0.000020723
     75        1          -0.000153605    0.000042580    0.000017179
     76        1           0.000078088   -0.000114751    0.000108865
     77        1          -0.000318359   -0.000271932    0.000118522
     78        1           0.001152209    0.000629227   -0.001094373
     79        1           0.000164681    0.000430385   -0.000123936
     80        1           0.000125148   -0.000006434    0.000034994
     81        1          -0.000025497   -0.000095816    0.000047251
     82        1           0.000074860   -0.000108264    0.000038045
     83        1           0.000066442    0.000046286    0.000094572
     84        1          -0.000100647    0.000044272   -0.000034118
     85        1          -0.000029910    0.000115171    0.000042317
     86        1           0.000137048   -0.000102486    0.000103592
     87        1          -0.000207777    0.000032688   -0.000106008
     88        1          -0.000126892    0.000029340    0.000013707
     89        1           0.000360553    0.000387770    0.000012367
     90        1           0.000408932   -0.000527271   -0.000167183
     91        1          -0.000299865   -0.000150423    0.000065326
     92        1           0.000220576   -0.000329837    0.000004386
     93        1           0.000067624    0.000197376    0.000316675
     94        1          -0.000242543   -0.000002884    0.000135546
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008158484 RMS     0.000950368

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.007589056 RMS     0.001025760
 Search for a local minimum.
 Step number  11 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    8   10    9   11
 DE= -8.74D-05 DEPred=-9.49D-04 R= 9.21D-02
 Trust test= 9.21D-02 RLast= 4.58D-01 DXMaxT set to 1.78D-01
 Use linear search instead of GDIIS.
 Linear search step of   0.221 exceeds DXMaxT=   0.178 but not scaled.
 Quartic linear search produced a step of -0.48207.
 Iteration  1 RMS(Cart)=  0.08448500 RMS(Int)=  0.00064406
 Iteration  2 RMS(Cart)=  0.00190424 RMS(Int)=  0.00003739
 Iteration  3 RMS(Cart)=  0.00000090 RMS(Int)=  0.00003739
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.69079  -0.00104  -0.00148   0.00000  -0.00148   2.68932
    R2        1.82492   0.00036  -0.00053   0.00000  -0.00053   1.82439
    R3        2.35603   0.00049   0.00066   0.00000   0.00066   2.35669
    R4        2.37901   0.00010   0.00094   0.00000   0.00094   2.37996
    R5        2.36035   0.00215   0.00026   0.00000   0.00026   2.36060
    R6        2.70239   0.00296   0.00243   0.00000   0.00243   2.70482
    R7        2.63342  -0.00077  -0.00060   0.00000  -0.00060   2.63282
    R8        2.73313  -0.00359  -0.00063   0.00000  -0.00063   2.73250
    R9        2.73175  -0.00402  -0.00389   0.00000  -0.00390   2.72785
   R10        2.65773  -0.00109  -0.00133   0.00000  -0.00134   2.65638
   R11        2.73631  -0.00298  -0.00098   0.00000  -0.00098   2.73534
   R12        2.59794  -0.00076   0.00070   0.00000   0.00070   2.59863
   R13        1.88130   0.00027  -0.00159   0.00000  -0.00159   1.87971
   R14        2.72179   0.00351   0.00065   0.00000   0.00065   2.72244
   R15        2.59015   0.00281   0.00271   0.00000   0.00271   2.59286
   R16        1.87873   0.00081   0.00112   0.00000   0.00112   1.87985
   R17        2.63061  -0.00097   0.00022   0.00000   0.00022   2.63083
   R18        2.71188  -0.00226  -0.00449   0.00000  -0.00448   2.70740
   R19        1.87316  -0.00024  -0.00029   0.00000  -0.00029   1.87287
   R20        2.90880  -0.00079   0.00010   0.00000   0.00010   2.90890
   R21        2.91120   0.00087   0.00047   0.00000   0.00047   2.91167
   R22        2.14733  -0.00037   0.00074   0.00000   0.00074   2.14808
   R23        2.91959  -0.00005   0.00127   0.00000   0.00127   2.92086
   R24        2.94111  -0.00055   0.00008   0.00000   0.00008   2.94118
   R25        2.14698   0.00004  -0.00123   0.00000  -0.00123   2.14575
   R26        2.88963  -0.00487  -0.00642   0.00000  -0.00642   2.88321
   R27        2.12809  -0.00137  -0.00086   0.00000  -0.00086   2.12723
   R28        2.11769  -0.00018   0.00034   0.00000   0.00034   2.11803
   R29        2.94853  -0.00224   0.00325   0.00000   0.00325   2.95179
   R30        2.12979   0.00068  -0.00012   0.00000  -0.00012   2.12968
   R31        2.86689   0.00179  -0.00003   0.00000  -0.00003   2.86686
   R32        2.86198  -0.00139  -0.00230   0.00000  -0.00230   2.85968
   R33        2.12934  -0.00065  -0.00116   0.00000  -0.00116   2.12818
   R34        2.91402  -0.00095   0.00046   0.00000   0.00046   2.91449
   R35        2.14169  -0.00076  -0.00109   0.00000  -0.00109   2.14061
   R36        2.81178  -0.00042  -0.00074   0.00000  -0.00074   2.81103
   R37        2.12272  -0.00033  -0.00106   0.00000  -0.00106   2.12167
   R38        2.12246  -0.00024  -0.00026   0.00000  -0.00026   2.12221
   R39        2.88875  -0.00185  -0.00118   0.00000  -0.00118   2.88757
   R40        2.13515   0.00003  -0.00068   0.00000  -0.00068   2.13447
   R41        2.13603  -0.00061   0.00018   0.00000   0.00018   2.13621
   R42        2.88836  -0.00079  -0.00136   0.00000  -0.00136   2.88700
   R43        2.11599  -0.00051  -0.00073   0.00000  -0.00073   2.11526
   R44        2.11962   0.00030  -0.00005   0.00000  -0.00005   2.11958
   R45        2.80748   0.00101   0.00002   0.00000   0.00002   2.80750
   R46        2.12252   0.00005  -0.00088   0.00000  -0.00088   2.12164
   R47        2.12411  -0.00049   0.00030   0.00000   0.00030   2.12441
   R48        2.11098  -0.00032  -0.00017   0.00000  -0.00017   2.11080
   R49        2.11106  -0.00021  -0.00020   0.00000  -0.00020   2.11085
   R50        2.11202  -0.00049  -0.00028   0.00000  -0.00028   2.11174
   R51        2.11153  -0.00024  -0.00024   0.00000  -0.00024   2.11129
   R52        2.10862  -0.00002   0.00018   0.00000   0.00018   2.10879
   R53        2.11254  -0.00016  -0.00022   0.00000  -0.00022   2.11232
   R54        2.13208  -0.00061  -0.00073   0.00000  -0.00073   2.13136
   R55        2.13682  -0.00042   0.00044   0.00000   0.00044   2.13726
   R56        2.64573  -0.00004   0.00010   0.00000   0.00010   2.64583
   R57        2.64570  -0.00015   0.00009   0.00000   0.00009   2.64580
   R58        2.64710  -0.00008  -0.00006   0.00000  -0.00006   2.64704
   R59        2.64507   0.00002   0.00000   0.00000   0.00000   2.64507
   R60        2.87474   0.00759   0.01041   0.00000   0.01041   2.88516
   R61        2.63339   0.00003  -0.00010   0.00000  -0.00010   2.63329
   R62        2.07940  -0.00014   0.00007   0.00000   0.00007   2.07947
   R63        2.63452   0.00005  -0.00005   0.00000  -0.00005   2.63447
   R64        2.08086  -0.00015  -0.00008   0.00000  -0.00008   2.08078
   R65        2.63290   0.00001  -0.00010   0.00000  -0.00010   2.63280
   R66        2.07955  -0.00016   0.00010   0.00000   0.00010   2.07966
   R67        2.63453   0.00011  -0.00001   0.00000  -0.00001   2.63452
   R68        2.07974  -0.00014   0.00015   0.00000   0.00015   2.07989
   R69        2.11903   0.00149   0.00224   0.00000   0.00224   2.12127
   R70        2.11910  -0.00031  -0.00194   0.00000  -0.00194   2.11716
   R71        2.63586   0.00011   0.00018   0.00000   0.00018   2.63604
   R72        2.07881  -0.00013  -0.00003   0.00000  -0.00003   2.07878
   R73        2.63535   0.00007   0.00006   0.00000   0.00006   2.63541
   R74        2.07924  -0.00010  -0.00009   0.00000  -0.00009   2.07915
   R75        2.07836  -0.00014  -0.00026   0.00000  -0.00026   2.07810
   R76        2.63628  -0.00001   0.00001   0.00000   0.00001   2.63629
   R77        2.07881  -0.00012  -0.00005   0.00000  -0.00005   2.07876
   R78        2.63478  -0.00001   0.00003   0.00000   0.00003   2.63481
   R79        2.07857  -0.00011  -0.00007   0.00000  -0.00007   2.07850
   R80        2.07802  -0.00013  -0.00028   0.00000  -0.00028   2.07774
   R81        2.66699  -0.00291  -0.00015   0.00000  -0.00015   2.66684
   R82        2.65650  -0.00042  -0.00063   0.00000  -0.00063   2.65587
   R83        2.63984   0.00049   0.00115   0.00000   0.00115   2.64099
   R84        2.79874  -0.00116  -0.00289   0.00000  -0.00289   2.79586
   R85        2.64589  -0.00008  -0.00023   0.00000  -0.00023   2.64567
   R86        2.79886  -0.00061  -0.00245   0.00000  -0.00245   2.79641
   R87        2.63335   0.00021  -0.00071   0.00000  -0.00071   2.63264
   R88        2.07945   0.00015  -0.00007   0.00000  -0.00007   2.07938
   R89        2.62774   0.00155   0.00252   0.00000   0.00252   2.63026
   R90        2.08025  -0.00011  -0.00021   0.00000  -0.00021   2.08004
   R91        2.11147  -0.00003   0.00004   0.00000   0.00004   2.11151
   R92        2.11817  -0.00047  -0.00029   0.00000  -0.00029   2.11788
   R93        2.11669  -0.00067  -0.00064   0.00000  -0.00064   2.11605
   R94        2.11308  -0.00034  -0.00030   0.00000  -0.00030   2.11278
   R95        2.11565  -0.00039  -0.00038   0.00000  -0.00038   2.11527
   R96        2.11666  -0.00037  -0.00018   0.00000  -0.00018   2.11648
   R97        2.07962  -0.00016  -0.00034   0.00000  -0.00034   2.07928
    A1        1.86468   0.00055   0.00204   0.00000   0.00204   1.86672
    A2        1.98890   0.00160   0.00439   0.00000   0.00439   1.99329
    A3        2.08588  -0.00290  -0.00138   0.00000  -0.00127   2.08461
    A4        2.07866   0.00195   0.00041   0.00000   0.00052   2.07918
    A5        2.11850   0.00095   0.00007   0.00000   0.00013   2.11863
    A6        2.14280  -0.00131  -0.00226   0.00000  -0.00226   2.14054
    A7        2.05091   0.00072   0.00139   0.00000   0.00139   2.05230
    A8        2.07800   0.00063   0.00124   0.00000   0.00124   2.07925
    A9        2.14857  -0.00086  -0.00375   0.00000  -0.00375   2.14482
   A10        2.04521   0.00021   0.00183   0.00000   0.00184   2.04705
   A11        2.08235   0.00056   0.00153   0.00000   0.00153   2.08389
   A12        2.14102  -0.00011   0.00021   0.00000   0.00021   2.14123
   A13        2.04540   0.00021  -0.00120   0.00000  -0.00120   2.04420
   A14        2.09370  -0.00009   0.00069   0.00000   0.00069   2.09439
   A15        1.99408  -0.00397  -0.00406   0.00000  -0.00405   1.99003
   A16        1.94907   0.00133   0.00038   0.00000   0.00038   1.94945
   A17        1.87236   0.00085   0.00395   0.00000   0.00396   1.87632
   A18        1.91120   0.00214   0.00806   0.00000   0.00805   1.91926
   A19        1.84961   0.00064  -0.00482   0.00000  -0.00484   1.84478
   A20        1.88113  -0.00095  -0.00405   0.00000  -0.00407   1.87706
   A21        2.01340  -0.00230  -0.00149   0.00000  -0.00148   2.01191
   A22        1.90552  -0.00424  -0.00226   0.00000  -0.00226   1.90326
   A23        1.88830   0.00147  -0.00676   0.00000  -0.00676   1.88153
   A24        1.90475   0.00591   0.00107   0.00000   0.00108   1.90583
   A25        1.86203  -0.00065   0.00223   0.00000   0.00226   1.86429
   A26        1.88570  -0.00004   0.00791   0.00000   0.00792   1.89362
   A27        1.99488  -0.00175   0.00354   0.00000   0.00355   1.99843
   A28        1.88903   0.00031   0.00081   0.00000   0.00080   1.88983
   A29        1.86680   0.00177  -0.00093   0.00000  -0.00092   1.86588
   A30        1.90016   0.00024  -0.00774   0.00000  -0.00775   1.89241
   A31        1.92437  -0.00020   0.00166   0.00000   0.00167   1.92603
   A32        1.88543  -0.00031   0.00284   0.00000   0.00284   1.88827
   A33        1.94301  -0.00016  -0.00501   0.00000  -0.00496   1.93805
   A34        1.85658   0.00153   0.00100   0.00000   0.00109   1.85767
   A35        1.90034  -0.00055   0.00241   0.00000   0.00241   1.90275
   A36        1.95545  -0.00247  -0.01208   0.00000  -0.01206   1.94339
   A37        1.91139   0.00094   0.00981   0.00000   0.00978   1.92117
   A38        1.89530   0.00076   0.00390   0.00000   0.00386   1.89916
   A39        1.90179   0.00326   0.00137   0.00000   0.00136   1.90316
   A40        1.94894  -0.00306  -0.00395   0.00000  -0.00394   1.94500
   A41        1.89451   0.00004  -0.00231   0.00000  -0.00230   1.89221
   A42        1.90656  -0.00017   0.00402   0.00000   0.00402   1.91058
   A43        1.89327  -0.00038   0.00267   0.00000   0.00267   1.89594
   A44        1.91788   0.00041  -0.00168   0.00000  -0.00167   1.91621
   A45        1.93932   0.00089   0.00516   0.00000   0.00515   1.94447
   A46        1.95547   0.00239   0.00913   0.00000   0.00911   1.96458
   A47        1.88547  -0.00090  -0.00233   0.00000  -0.00234   1.88312
   A48        1.90897  -0.00270  -0.00637   0.00000  -0.00633   1.90264
   A49        1.86944   0.00049  -0.00191   0.00000  -0.00188   1.86756
   A50        1.90271  -0.00023  -0.00438   0.00000  -0.00436   1.89835
   A51        1.95278   0.00032  -0.00019   0.00000  -0.00019   1.95259
   A52        1.92116  -0.00014   0.00293   0.00000   0.00293   1.92409
   A53        1.87850   0.00013  -0.00219   0.00000  -0.00219   1.87631
   A54        1.92132  -0.00008  -0.00304   0.00000  -0.00304   1.91828
   A55        1.91524  -0.00027   0.00034   0.00000   0.00034   1.91559
   A56        1.87264   0.00003   0.00229   0.00000   0.00229   1.87493
   A57        2.13161  -0.00037  -0.00034   0.00000  -0.00034   2.13127
   A58        2.13179   0.00238  -0.00085   0.00000  -0.00085   2.13094
   A59        2.01895  -0.00206   0.00118   0.00000   0.00118   2.02013
   A60        1.98385  -0.00027  -0.00259   0.00000  -0.00260   1.98126
   A61        1.90533  -0.00062   0.00006   0.00000   0.00006   1.90539
   A62        1.88910   0.00017  -0.00066   0.00000  -0.00065   1.88845
   A63        1.89176   0.00103   0.00333   0.00000   0.00333   1.89509
   A64        1.91306  -0.00031  -0.00070   0.00000  -0.00069   1.91237
   A65        1.87800   0.00000   0.00069   0.00000   0.00069   1.87869
   A66        1.92828   0.00004   0.00114   0.00000   0.00115   1.92942
   A67        1.90058   0.00001  -0.00055   0.00000  -0.00056   1.90002
   A68        1.92535  -0.00050  -0.00203   0.00000  -0.00203   1.92332
   A69        1.90803  -0.00019  -0.00318   0.00000  -0.00318   1.90485
   A70        1.91690   0.00060   0.00127   0.00000   0.00127   1.91817
   A71        1.88401   0.00004   0.00336   0.00000   0.00336   1.88736
   A72        1.97110   0.00086   0.00289   0.00000   0.00290   1.97400
   A73        1.90220   0.00016   0.00259   0.00000   0.00260   1.90480
   A74        1.88130  -0.00145  -0.00843   0.00000  -0.00843   1.87287
   A75        1.92778   0.00002   0.00119   0.00000   0.00121   1.92899
   A76        1.90446   0.00029   0.00022   0.00000   0.00022   1.90468
   A77        1.87397   0.00006   0.00117   0.00000   0.00117   1.87513
   A78        2.10916   0.00031   0.00019   0.00000   0.00020   2.10936
   A79        2.08555   0.00029  -0.00018   0.00000  -0.00017   2.08539
   A80        2.08768  -0.00060   0.00012   0.00000   0.00010   2.08779
   A81        1.93422  -0.00037   0.00012   0.00000   0.00012   1.93434
   A82        1.91430  -0.00029   0.00043   0.00000   0.00043   1.91473
   A83        1.92848   0.00189   0.00013   0.00000   0.00013   1.92861
   A84        1.89252   0.00001  -0.00069   0.00000  -0.00069   1.89183
   A85        1.90108  -0.00050  -0.00018   0.00000  -0.00018   1.90091
   A86        1.89236  -0.00078   0.00017   0.00000   0.00017   1.89252
   A87        1.92899   0.00022   0.00048   0.00000   0.00048   1.92947
   A88        1.95159  -0.00160  -0.00361   0.00000  -0.00361   1.94798
   A89        1.91290   0.00036   0.00114   0.00000   0.00114   1.91404
   A90        1.89300   0.00047   0.00049   0.00000   0.00049   1.89349
   A91        1.89131   0.00001   0.00043   0.00000   0.00043   1.89174
   A92        1.88451   0.00059   0.00118   0.00000   0.00118   1.88570
   A93        1.96539  -0.00013   0.00044   0.00000   0.00046   1.96585
   A94        1.89680  -0.00021  -0.00082   0.00000  -0.00082   1.89597
   A95        1.91213   0.00012   0.00151   0.00000   0.00151   1.91364
   A96        1.90931   0.00024   0.00050   0.00000   0.00049   1.90980
   A97        1.90105  -0.00007  -0.00084   0.00000  -0.00085   1.90021
   A98        1.87714   0.00006  -0.00085   0.00000  -0.00084   1.87630
   A99        2.09836  -0.00011   0.00066   0.00000   0.00066   2.09902
   A100       2.10184   0.00005  -0.00024   0.00000  -0.00024   2.10160
   A101       2.08297   0.00006  -0.00042   0.00000  -0.00042   2.08255
   A102       2.09999  -0.00026  -0.00009   0.00000  -0.00009   2.09990
   A103       2.10230   0.00042   0.00059   0.00000   0.00059   2.10289
   A104       2.08074  -0.00016  -0.00051   0.00000  -0.00051   2.08022
   A105       2.14162  -0.00313  -0.00521   0.00000  -0.00475   2.13687
   A106       2.06046   0.00011   0.00220   0.00000   0.00265   2.06311
   A107       2.07615   0.00329   0.00539   0.00000   0.00585   2.08200
   A108       2.09951   0.00000   0.00014   0.00000   0.00014   2.09965
   A109       2.08917   0.00001  -0.00043   0.00000  -0.00043   2.08874
   A110       2.09451  -0.00002   0.00028   0.00000   0.00028   2.09479
   A111       2.09851   0.00002   0.00038   0.00000   0.00038   2.09888
   A112       2.09463   0.00003  -0.00074   0.00000  -0.00074   2.09389
   A113       2.09005  -0.00006   0.00036   0.00000   0.00036   2.09041
   A114       2.10050   0.00013   0.00031   0.00000   0.00031   2.10080
   A115       2.08819  -0.00007  -0.00056   0.00000  -0.00056   2.08763
   A116       2.09447  -0.00006   0.00025   0.00000   0.00025   2.09472
   A117       2.10025   0.00010   0.00032   0.00000   0.00032   2.10057
   A118       2.09068  -0.00002  -0.00078   0.00000  -0.00078   2.08989
   A119       2.09226  -0.00008   0.00046   0.00000   0.00046   2.09272
   A120       1.92796   0.00318  -0.00114   0.00000  -0.00113   1.92683
   A121       1.88315  -0.00156   0.00184   0.00000   0.00185   1.88499
   A122       1.95382  -0.00063  -0.00084   0.00000  -0.00083   1.95299
   A123       1.88342   0.00011   0.00759   0.00000   0.00760   1.89102
   A124       1.88859  -0.00078  -0.00332   0.00000  -0.00332   1.88527
   A125       1.92586  -0.00027  -0.00384   0.00000  -0.00385   1.92201
   A126       2.09650  -0.00003   0.00019   0.00000   0.00019   2.09669
   A127       2.09207   0.00000  -0.00018   0.00000  -0.00018   2.09189
   A128       2.09462   0.00003  -0.00001   0.00000  -0.00001   2.09461
   A129       2.09712  -0.00003  -0.00003   0.00000  -0.00003   2.09709
   A130       2.09043  -0.00002   0.00009   0.00000   0.00009   2.09052
   A131       2.09564   0.00005  -0.00005   0.00000  -0.00005   2.09558
   A132       2.09177  -0.00002  -0.00026   0.00000  -0.00026   2.09151
   A133       2.09559   0.00002   0.00012   0.00000   0.00012   2.09571
   A134       2.09583   0.00000   0.00014   0.00000   0.00014   2.09597
   A135       2.09674   0.00001   0.00016   0.00000   0.00016   2.09691
   A136       2.09192   0.00000  -0.00022   0.00000  -0.00022   2.09170
   A137       2.09452  -0.00001   0.00006   0.00000   0.00006   2.09458
   A138       2.09706  -0.00002   0.00009   0.00000   0.00009   2.09715
   A139       2.09181   0.00001  -0.00008   0.00000  -0.00008   2.09173
   A140       2.09431   0.00001  -0.00001   0.00000  -0.00001   2.09431
   A141       2.09108  -0.00005  -0.00036   0.00000  -0.00036   2.09072
   A142       2.09580   0.00002   0.00020   0.00000   0.00020   2.09600
   A143       2.09630   0.00003   0.00016   0.00000   0.00016   2.09647
   A144       2.04522  -0.00108  -0.01031   0.00000  -0.01030   2.03492
   A145       2.11659   0.00034   0.00753   0.00000   0.00754   2.12413
   A146       2.11723   0.00075   0.00319   0.00000   0.00320   2.12042
   A147       2.06827   0.00053   0.00033   0.00000   0.00033   2.06860
   A148       2.10880  -0.00108  -0.00551   0.00000  -0.00551   2.10329
   A149       2.10606   0.00055   0.00520   0.00000   0.00521   2.11127
   A150       2.06827  -0.00015  -0.00348   0.00000  -0.00348   2.06479
   A151       2.12090   0.00002   0.00098   0.00000   0.00098   2.12188
   A152       2.09399   0.00014   0.00250   0.00000   0.00250   2.09650
   A153       2.10603  -0.00044  -0.00269   0.00000  -0.00269   2.10334
   A154       2.08401   0.00036   0.00051   0.00000   0.00051   2.08452
   A155       2.09314   0.00008   0.00218   0.00000   0.00218   2.09532
   A156       2.10683  -0.00032   0.00119   0.00000   0.00119   2.10801
   A157       2.08416  -0.00004  -0.00079   0.00000  -0.00079   2.08337
   A158       2.09217   0.00036  -0.00040   0.00000  -0.00040   2.09178
   A159       1.93970   0.00032   0.00072   0.00000   0.00072   1.94042
   A160       1.92140  -0.00027   0.00050   0.00000   0.00050   1.92191
   A161       1.92565  -0.00027  -0.00169   0.00000  -0.00169   1.92397
   A162       1.89256   0.00009   0.00200   0.00000   0.00200   1.89456
   A163       1.89590   0.00001   0.00179   0.00000   0.00179   1.89769
   A164       1.88743   0.00011  -0.00337   0.00000  -0.00337   1.88406
   A165       1.93730   0.00000  -0.00013   0.00000  -0.00013   1.93717
   A166       1.92765  -0.00007   0.00009   0.00000   0.00009   1.92775
   A167       1.92315  -0.00003   0.00046   0.00000   0.00046   1.92361
   A168       1.89315   0.00005   0.00018   0.00000   0.00018   1.89334
   A169       1.88960   0.00003  -0.00015   0.00000  -0.00015   1.88945
   A170       1.89182   0.00002  -0.00048   0.00000  -0.00048   1.89134
   A171       2.09954  -0.00037   0.00149   0.00000   0.00149   2.10104
   A172       2.09272  -0.00005  -0.00060   0.00000  -0.00060   2.09212
   A173       2.09091   0.00042  -0.00088   0.00000  -0.00088   2.09002
    D1       -0.97609  -0.00035  -0.02770   0.00000  -0.02769  -1.00378
    D2       -3.11089   0.00179  -0.01072   0.00000  -0.01073  -3.12162
    D3        1.13282   0.00036  -0.01706   0.00000  -0.01706   1.11577
    D4        2.50194  -0.00024   0.00150   0.00000   0.00150   2.50344
    D5       -1.72628   0.00076   0.01113   0.00000   0.01112  -1.71516
    D6        0.39604  -0.00101   0.00704   0.00000   0.00704   0.40308
    D7       -2.07552   0.00017  -0.00324   0.00000  -0.00323  -2.07876
    D8        1.16259   0.00006  -0.00850   0.00000  -0.00851   1.15409
    D9        0.87865   0.00076  -0.02383   0.00000  -0.02383   0.85482
   D10       -1.27319  -0.00202  -0.02238   0.00000  -0.02239  -1.29557
   D11        2.96180  -0.00047  -0.02679   0.00000  -0.02679   2.93501
   D12       -2.24533   0.00038  -0.00005   0.00000  -0.00004  -2.24537
   D13        1.88602  -0.00240   0.00140   0.00000   0.00140   1.88742
   D14       -0.16218  -0.00085  -0.00301   0.00000  -0.00301  -0.16519
   D15        2.74960  -0.00058   0.01352   0.00000   0.01352   2.76313
   D16       -1.41943   0.00010   0.01609   0.00000   0.01609  -1.40334
   D17        0.61994  -0.00013   0.01658   0.00000   0.01658   0.63652
   D18       -0.41002  -0.00019  -0.01081   0.00000  -0.01082  -0.42083
   D19        1.70414   0.00050  -0.00824   0.00000  -0.00825   1.69589
   D20       -2.53968   0.00026  -0.00775   0.00000  -0.00775  -2.54744
   D21       -0.06404   0.00025  -0.01132   0.00000  -0.01131  -0.07535
   D22        3.12045   0.00022  -0.01512   0.00000  -0.01511   3.10534
   D23        3.09551  -0.00009   0.01298   0.00000   0.01297   3.10848
   D24       -0.00319  -0.00013   0.00918   0.00000   0.00917   0.00599
   D25       -1.25738   0.00084   0.00737   0.00000   0.00737  -1.25001
   D26        2.84474   0.00001  -0.00063   0.00000  -0.00064   2.84411
   D27        0.78720  -0.00011   0.00165   0.00000   0.00165   0.78885
   D28        2.04810   0.00047   0.00456   0.00000   0.00456   2.05266
   D29       -0.13296  -0.00036  -0.00345   0.00000  -0.00345  -0.13641
   D30       -2.19050  -0.00048  -0.00117   0.00000  -0.00116  -2.19166
   D31        0.16617  -0.00080   0.00148   0.00000   0.00148   0.16766
   D32       -3.01834  -0.00218   0.00099   0.00000   0.00099  -3.01735
   D33        3.14145  -0.00041   0.00435   0.00000   0.00435  -3.13739
   D34       -0.04307  -0.00180   0.00386   0.00000   0.00386  -0.03921
   D35       -1.92033  -0.00009  -0.00249   0.00000  -0.00251  -1.92285
   D36        2.22160   0.00105  -0.00471   0.00000  -0.00469   2.21691
   D37        0.12551   0.00047  -0.00331   0.00000  -0.00330   0.12221
   D38        1.09278  -0.00081  -0.00572   0.00000  -0.00574   1.08703
   D39       -1.04847   0.00033  -0.00794   0.00000  -0.00792  -1.05639
   D40        3.13862  -0.00026  -0.00654   0.00000  -0.00654   3.13209
   D41       -0.04275   0.00056   0.02154   0.00000   0.02161  -0.02114
   D42       -3.07542  -0.00235  -0.03369   0.00000  -0.03377  -3.10919
   D43       -3.05326   0.00132   0.02482   0.00000   0.02490  -3.02836
   D44        0.19726  -0.00158  -0.03040   0.00000  -0.03048   0.16678
   D45       -3.12979   0.00028  -0.00375   0.00000  -0.00375  -3.13353
   D46       -0.03051   0.00031   0.00001   0.00000   0.00001  -0.03050
   D47        0.09603   0.00001   0.00020   0.00000   0.00020   0.09623
   D48       -3.08788   0.00004   0.00395   0.00000   0.00395  -3.08393
   D49        0.46982  -0.00032  -0.00600   0.00000  -0.00600   0.46382
   D50        2.58806  -0.00025  -0.00565   0.00000  -0.00565   2.58241
   D51       -1.64867  -0.00023  -0.00628   0.00000  -0.00629  -1.65496
   D52       -2.75825  -0.00003  -0.01014   0.00000  -0.01014  -2.76839
   D53       -0.64001   0.00004  -0.00979   0.00000  -0.00979  -0.64980
   D54        1.40645   0.00006  -0.01043   0.00000  -0.01043   1.39602
   D55       -0.89120  -0.00021  -0.02356   0.00000  -0.02356  -0.91476
   D56        1.22922  -0.00083  -0.03055   0.00000  -0.03056   1.19866
   D57       -3.02634  -0.00011  -0.02731   0.00000  -0.02732  -3.05365
   D58        1.30979   0.00028  -0.01959   0.00000  -0.01959   1.29020
   D59       -2.85298  -0.00035  -0.02658   0.00000  -0.02658  -2.87957
   D60       -0.82535   0.00037  -0.02334   0.00000  -0.02334  -0.84870
   D61       -2.94881   0.00056  -0.02300   0.00000  -0.02300  -2.97181
   D62       -0.82840  -0.00006  -0.03000   0.00000  -0.02999  -0.85839
   D63        1.19923   0.00065  -0.02676   0.00000  -0.02675   1.17248
   D64       -1.06782  -0.00116  -0.00372   0.00000  -0.00373  -1.07155
   D65        1.07436  -0.00114  -0.00566   0.00000  -0.00567   1.06869
   D66        3.10996  -0.00110  -0.00260   0.00000  -0.00261   3.10735
   D67        2.98892   0.00140  -0.00497   0.00000  -0.00496   2.98396
   D68       -1.15208   0.00141  -0.00690   0.00000  -0.00690  -1.15897
   D69        0.88352   0.00145  -0.00384   0.00000  -0.00384   0.87968
   D70        0.98445   0.00005  -0.00120   0.00000  -0.00120   0.98325
   D71        3.12664   0.00006  -0.00314   0.00000  -0.00314   3.12350
   D72       -1.12095   0.00010  -0.00008   0.00000  -0.00008  -1.12103
   D73        3.10482  -0.00037  -0.02875   0.00000  -0.02875   3.07607
   D74        0.99720  -0.00038  -0.03216   0.00000  -0.03217   0.96504
   D75       -1.11969   0.00103  -0.02609   0.00000  -0.02609  -1.14578
   D76       -1.02612  -0.00295  -0.03196   0.00000  -0.03196  -1.05809
   D77       -3.13374  -0.00296  -0.03538   0.00000  -0.03538   3.11407
   D78        1.03256  -0.00155  -0.02931   0.00000  -0.02930   1.00325
   D79        1.00724  -0.00034  -0.02087   0.00000  -0.02087   0.98637
   D80       -1.10037  -0.00035  -0.02429   0.00000  -0.02429  -1.12466
   D81        3.06593   0.00106  -0.01822   0.00000  -0.01822   3.04771
   D82        1.81294  -0.00177  -0.04245   0.00000  -0.04245   1.77049
   D83       -1.28573  -0.00030  -0.04197   0.00000  -0.04198  -1.32770
   D84       -0.40217  -0.00002  -0.03974   0.00000  -0.03975  -0.44192
   D85        2.78235   0.00144  -0.03927   0.00000  -0.03928   2.74308
   D86       -2.42041  -0.00235  -0.04734   0.00000  -0.04733  -2.46774
   D87        0.76411  -0.00089  -0.04686   0.00000  -0.04685   0.71726
   D88        1.73871  -0.00082  -0.00965   0.00000  -0.00963   1.72908
   D89       -2.46784  -0.00065  -0.01949   0.00000  -0.01951  -2.48736
   D90       -0.36371  -0.00065  -0.01594   0.00000  -0.01592  -0.37964
   D91       -0.37557  -0.00023  -0.00737   0.00000  -0.00735  -0.38292
   D92        1.70106  -0.00005  -0.01720   0.00000  -0.01723   1.68383
   D93       -2.47799  -0.00006  -0.01365   0.00000  -0.01365  -2.49164
   D94       -2.44107   0.00012  -0.00712   0.00000  -0.00710  -2.44817
   D95       -0.36443   0.00029  -0.01696   0.00000  -0.01699  -0.38142
   D96        1.73970   0.00029  -0.01341   0.00000  -0.01340   1.72630
   D97       -1.17075  -0.00101  -0.00278   0.00000  -0.00279  -1.17353
   D98        0.99712   0.00074   0.00788   0.00000   0.00789   1.00501
   D99        3.05685  -0.00071  -0.00166   0.00000  -0.00166   3.05518
   D100       2.98553  -0.00034   0.00970   0.00000   0.00970   2.99523
   D101      -1.12979   0.00140   0.02037   0.00000   0.02038  -1.10941
   D102       0.92994  -0.00004   0.01082   0.00000   0.01082   0.94076
   D103       0.87209  -0.00047   0.00257   0.00000   0.00256   0.87465
   D104       3.03996   0.00128   0.01323   0.00000   0.01324   3.05320
   D105      -1.18350  -0.00017   0.00369   0.00000   0.00368  -1.17982
   D106      -1.04144   0.00097   0.00911   0.00000   0.00911  -1.03233
   D107      -3.13044   0.00137   0.00961   0.00000   0.00961  -3.12083
   D108       1.06753   0.00135   0.00905   0.00000   0.00905   1.07658
   D109       1.09197  -0.00086   0.00764   0.00000   0.00764   1.09962
   D110      -0.99703  -0.00045   0.00814   0.00000   0.00815  -0.98889
   D111      -3.08224  -0.00047   0.00759   0.00000   0.00759  -3.07466
   D112      -3.10090  -0.00069   0.00958   0.00000   0.00958  -3.09132
   D113       1.09328  -0.00028   0.01009   0.00000   0.01008   1.10336
   D114      -0.99193  -0.00031   0.00953   0.00000   0.00952  -0.98241
   D115       0.94795   0.00100   0.01222   0.00000   0.01223   0.96018
   D116      -1.16277   0.00134   0.01371   0.00000   0.01371  -1.14906
   D117       3.03130   0.00138   0.01377   0.00000   0.01378   3.04508
   D118      -1.15688  -0.00100   0.01037   0.00000   0.01037  -1.14651
   D119       3.01558  -0.00066   0.01185   0.00000   0.01185   3.02743
   D120       0.92647  -0.00062   0.01192   0.00000   0.01192   0.93839
   D121       3.05123  -0.00068   0.00567   0.00000   0.00567   3.05690
   D122       0.94050  -0.00034   0.00716   0.00000   0.00715   0.94766
   D123      -1.14861  -0.00030   0.00722   0.00000   0.00722  -1.14139
   D124      -1.00906  -0.00028   0.02019   0.00000   0.02019  -0.98887
   D125       1.14037   0.00045   0.02567   0.00000   0.02567   1.16604
   D126      -3.11420  -0.00019   0.02385   0.00000   0.02385  -3.09034
   D127       3.11574  -0.00113   0.01186   0.00000   0.01185   3.12760
   D128      -1.01801  -0.00040   0.01735   0.00000   0.01733  -1.00068
   D129       1.01061  -0.00103   0.01552   0.00000   0.01551   1.02612
   D130       1.07694  -0.00006   0.02005   0.00000   0.02007   1.09701
   D131      -3.05681   0.00067   0.02554   0.00000   0.02555  -3.03126
   D132      -1.02819   0.00003   0.02371   0.00000   0.02373  -1.00446
   D133      -1.43623  -0.00009   0.00321   0.00000   0.00321  -1.43302
   D134       1.71143  -0.00012   0.00294   0.00000   0.00294   1.71436
   D135       2.70486  -0.00008   0.00175   0.00000   0.00175   2.70661
   D136      -0.43067  -0.00011   0.00148   0.00000   0.00148  -0.42919
   D137       0.64766   0.00010   0.00057   0.00000   0.00057   0.64824
   D138      -2.48787   0.00007   0.00030   0.00000   0.00030  -2.48756
   D139       0.81468   0.00019   0.00494   0.00000   0.00494   0.81962
   D140       2.91043  -0.00002   0.00138   0.00000   0.00138   2.91181
   D141      -1.30816  -0.00026   0.00394   0.00000   0.00393  -1.30423
   D142      -1.30705   0.00042   0.00419   0.00000   0.00418  -1.30286
   D143       0.78870   0.00021   0.00063   0.00000   0.00063   0.78933
   D144       2.85330  -0.00003   0.00318   0.00000   0.00318   2.85648
   D145       2.93102   0.00000   0.00184   0.00000   0.00183   2.93285
   D146      -1.25642  -0.00021  -0.00172   0.00000  -0.00172  -1.25814
   D147       0.80818  -0.00045   0.00083   0.00000   0.00083   0.80901
   D148      -0.83817  -0.00008   0.00259   0.00000   0.00259  -0.83558
   D149      -2.94927   0.00011   0.00299   0.00000   0.00298  -2.94629
   D150       1.28661  -0.00006   0.00421   0.00000   0.00420   1.29082
   D151      -2.92944   0.00001   0.00458   0.00000   0.00457  -2.92487
   D152       1.24264   0.00019   0.00497   0.00000   0.00497   1.24761
   D153      -0.80466   0.00003   0.00619   0.00000   0.00619  -0.79847
   D154       1.28965  -0.00029   0.00165   0.00000   0.00164   1.29129
   D155      -0.82145  -0.00010   0.00204   0.00000   0.00204  -0.81941
   D156      -2.86875  -0.00027   0.00326   0.00000   0.00326  -2.86549
   D157      -1.26232   0.00089   0.00896   0.00000   0.00896  -1.25337
   D158       1.89884   0.00097   0.00977   0.00000   0.00977   1.90861
   D159       2.88569   0.00007   0.00261   0.00000   0.00261   2.88830
   D160      -0.23634   0.00014   0.00342   0.00000   0.00343  -0.23291
   D161       0.82955  -0.00018   0.00034   0.00000   0.00034   0.82988
   D162      -2.29248  -0.00011   0.00115   0.00000   0.00115  -2.29132
   D163      -3.13583  -0.00003   0.00007   0.00000   0.00007  -3.13576
   D164       0.00550  -0.00002   0.00026   0.00000   0.00026   0.00576
   D165      -0.00023   0.00000   0.00034   0.00000   0.00034   0.00010
   D166       3.14109   0.00000   0.00053   0.00000   0.00053  -3.14156
   D167       3.13667   0.00003   0.00013   0.00000   0.00013   3.13680
   D168      -0.00148  -0.00001   0.00042   0.00000   0.00042  -0.00106
   D169       0.00109   0.00001  -0.00014   0.00000  -0.00014   0.00095
   D170      -3.13706  -0.00004   0.00014   0.00000   0.00014  -3.13692
   D171      -3.12083  -0.00003   0.00138   0.00000   0.00138  -3.11945
   D172       0.02857   0.00000   0.00256   0.00000   0.00256   0.03113
   D173       0.00143  -0.00010   0.00059   0.00000   0.00059   0.00202
   D174      -3.13235  -0.00007   0.00177   0.00000   0.00177  -3.13059
   D175       3.11989   0.00000  -0.00166   0.00000  -0.00166   3.11823
   D176      -0.02191   0.00018   0.00046   0.00000   0.00046  -0.02145
   D177      -0.00235   0.00007  -0.00085   0.00000  -0.00085  -0.00321
   D178       3.13904   0.00025   0.00126   0.00000   0.00126   3.14030
   D179       2.80179  -0.00191  -0.03421   0.00000  -0.03415   2.76765
   D180       0.74700  -0.00188  -0.04032   0.00000  -0.04026   0.70674
   D181      -1.33697  -0.00119  -0.03812   0.00000  -0.03806  -1.37503
   D182      -0.44364   0.00065   0.01847   0.00000   0.01841  -0.42523
   D183      -2.49844   0.00067   0.01236   0.00000   0.01230  -2.48613
   D184       1.70078   0.00137   0.01456   0.00000   0.01450   1.71528
   D185      -0.00076   0.00000  -0.00021   0.00000  -0.00021  -0.00097
   D186       3.14024   0.00001  -0.00011   0.00000  -0.00011   3.14013
   D187       3.14109  -0.00001  -0.00040   0.00000  -0.00040   3.14069
   D188      -0.00109   0.00000  -0.00030   0.00000  -0.00030  -0.00138
   D189      -0.00094  -0.00001  -0.00019   0.00000  -0.00019  -0.00114
   D190       3.13969  -0.00003   0.00002   0.00000   0.00002   3.13971
   D191       3.13721   0.00003  -0.00047   0.00000  -0.00047   3.13674
   D192      -0.00534   0.00001  -0.00026   0.00000  -0.00026  -0.00560
   D193       0.00070   0.00006   0.00015   0.00000   0.00015   0.00084
   D194      -3.13892   0.00004  -0.00030   0.00000  -0.00030  -3.13922
   D195       3.13445   0.00003  -0.00104   0.00000  -0.00104   3.13341
   D196      -0.00517   0.00001  -0.00148   0.00000  -0.00148  -0.00665
   D197       0.00116   0.00001   0.00038   0.00000   0.00038   0.00153
   D198      -3.14056   0.00005   0.00093   0.00000   0.00093  -3.13964
   D199      -3.14024  -0.00018  -0.00174   0.00000  -0.00174   3.14121
   D200       0.00123  -0.00014  -0.00119   0.00000  -0.00119   0.00004
   D201       0.00091   0.00000  -0.00012   0.00000  -0.00012   0.00079
   D202       3.14145   0.00001   0.00019   0.00000   0.00019  -3.14154
   D203      -3.14009  -0.00001  -0.00023   0.00000  -0.00023  -3.14032
   D204       0.00045   0.00000   0.00009   0.00000   0.00009   0.00054
   D205      -0.00006   0.00001   0.00032   0.00000   0.00032   0.00026
   D206      -3.14060  -0.00001   0.00001   0.00000   0.00001  -3.14059
   D207      -3.14069   0.00003   0.00011   0.00000   0.00011  -3.14059
   D208       0.00195   0.00001  -0.00021   0.00000  -0.00021   0.00175
   D209      -0.00191   0.00002  -0.00063   0.00000  -0.00063  -0.00254
   D210       3.14006  -0.00002  -0.00076   0.00000  -0.00076   3.13929
   D211       3.13770   0.00004  -0.00018   0.00000  -0.00018   3.13752
   D212      -0.00351  -0.00001  -0.00031   0.00000  -0.00031  -0.00383
   D213       0.00099  -0.00005   0.00037   0.00000   0.00037   0.00136
   D214      -3.14098  -0.00001   0.00050   0.00000   0.00050  -3.14048
   D215      -3.14048  -0.00009  -0.00018   0.00000  -0.00018  -3.14066
   D216       0.00074  -0.00005  -0.00005   0.00000  -0.00005   0.00069
   D217      -3.05833  -0.00013  -0.00547   0.00000  -0.00550  -3.06383
   D218       0.07237  -0.00007  -0.00250   0.00000  -0.00251   0.06986
   D219      -0.01329  -0.00004   0.00002   0.00000   0.00002  -0.01327
   D220       3.11740   0.00003   0.00300   0.00000   0.00301   3.12041
   D221       3.06155   0.00005   0.00332   0.00000   0.00329   3.06484
   D222      -0.07369   0.00005   0.00282   0.00000   0.00280  -0.07089
   D223       0.02046   0.00003  -0.00152   0.00000  -0.00152   0.01895
   D224      -3.11477   0.00003  -0.00201   0.00000  -0.00201  -3.11678
   D225      -0.00375   0.00003   0.00151   0.00000   0.00150  -0.00225
   D226       3.13973   0.00002   0.00232   0.00000   0.00232  -3.14113
   D227      -3.13446  -0.00002  -0.00143   0.00000  -0.00143  -3.13590
   D228       0.00902  -0.00003  -0.00062   0.00000  -0.00061   0.00841
   D229      -2.94285  -0.00005   0.00036   0.00000   0.00035  -2.94250
   D230       1.24316  -0.00020  -0.00295   0.00000  -0.00296   1.24021
   D231      -0.83867  -0.00001   0.00195   0.00000   0.00195  -0.83672
   D232       0.18760   0.00001   0.00338   0.00000   0.00338   0.19099
   D233      -1.90957  -0.00014   0.00007   0.00000   0.00008  -1.90949
   D234       2.29178   0.00006   0.00498   0.00000   0.00498   2.29677
   D235      -0.01079  -0.00001   0.00149   0.00000   0.00149  -0.00930
   D236       3.13880  -0.00004   0.00119   0.00000   0.00119   3.13999
   D237       3.12455  -0.00001   0.00197   0.00000   0.00197   3.12652
   D238      -0.00905  -0.00004   0.00167   0.00000   0.00167  -0.00738
   D239       2.79441   0.00005  -0.00039   0.00000  -0.00040   2.79402
   D240       0.69393   0.00003  -0.00060   0.00000  -0.00060   0.69333
   D241      -1.39571   0.00007  -0.00036   0.00000  -0.00036  -1.39607
   D242      -0.34074   0.00005  -0.00088   0.00000  -0.00087  -0.34161
   D243      -2.44122   0.00003  -0.00108   0.00000  -0.00108  -2.44230
   D244       1.75233   0.00007  -0.00084   0.00000  -0.00084   1.75148
   D245       0.01328  -0.00003  -0.00158   0.00000  -0.00157   0.01170
   D246      -3.13351   0.00000   0.00097   0.00000   0.00097  -3.13254
   D247      -3.13022  -0.00002  -0.00240   0.00000  -0.00240  -3.13262
   D248       0.00618   0.00001   0.00014   0.00000   0.00014   0.00633
   D249      -0.00583   0.00002   0.00004   0.00000   0.00004  -0.00579
   D250       3.14095   0.00000  -0.00251   0.00000  -0.00250   3.13844
   D251       3.12773   0.00004   0.00034   0.00000   0.00034   3.12807
   D252      -0.00868   0.00002  -0.00220   0.00000  -0.00220  -0.01088
         Item               Value     Threshold  Converged?
 Maximum Force            0.007589     0.000450     NO 
 RMS     Force            0.001026     0.000300     NO 
 Maximum Displacement     0.466004     0.001800     NO 
 RMS     Displacement     0.084431     0.001200     NO 
 Predicted change in Energy=-6.788454D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.065577   -0.132947   -1.279065
      2          8           0       -3.528627    0.267473   -2.375434
      3          8           0       -3.671126   -2.584980    1.563563
      4          8           0        2.495243    2.293899    1.990023
      5          8           0        3.755445   -0.984213    1.469401
      6          7           0       -3.243550   -2.554214   -0.715560
      7          7           0       -3.117171    0.465298   -0.125739
      8          7           0        2.224576    0.905509    0.178766
      9          7           0       -2.058326   -4.021375    0.798161
     10          6           0       -2.611043    1.819670   -0.194309
     11          6           0       -4.283948   -1.573977   -0.933639
     12          6           0       -1.272085    1.951109   -0.942260
     13          6           0       -0.174889    1.014842   -0.444847
     14          6           0       -5.279158   -1.909120   -2.067779
     15          6           0        1.222230    1.712986   -0.468352
     16          6           0       -2.497300    2.456705    1.204003
     17          6           0       -3.627823   -0.192053   -1.220329
     18          6           0       -2.484253   -3.045243   -1.840771
     19          6           0       -1.129739   -3.635604   -1.451331
     20          6           0        1.588686    2.054710   -1.926969
     21          6           0       -3.027877   -3.045611    0.583671
     22          6           0       -6.356486   -0.841931   -2.112364
     23          6           0       -5.919823   -3.264110   -1.859053
     24          6           0       -1.280123   -4.585488   -0.264283
     25          6           0       -3.818815    2.547504    1.880845
     26          6           0        2.899503    2.742537   -2.052868
     27          6           0        2.792845    1.244829    1.380654
     28          6           0       -4.689486    3.604680    1.589925
     29          6           0       -4.202199    1.582013    2.819520
     30          6           0        3.044466    4.070551   -1.631584
     31          6           0        3.997370    2.081155   -2.615404
     32          6           0        3.879397    0.350148    1.972214
     33          6           0       -5.924711    3.694281    2.228652
     34          6           0       -5.439094    1.673417    3.456118
     35          6           0       -6.301919    2.728921    3.162264
     36          6           0        4.266163    4.725079   -1.773379
     37          6           0        5.218600    2.738386   -2.757684
     38          6           0        5.355335    4.060977   -2.338069
     39          6           0        4.971790   -1.626239    1.247151
     40          6           0        5.240031   -2.030110   -0.078181
     41          6           0        5.836725   -1.956399    2.304554
     42          6           0        6.404325   -2.760821   -0.330437
     43          6           0        6.996543   -2.683572    2.011093
     44          6           0        4.300871   -1.693402   -1.170671
     45          6           0        5.541505   -1.560509    3.699513
     46          6           0        7.278698   -3.078456    0.706577
     47          1           0       -3.358309    2.434128   -0.791096
     48          1           0       -4.890790   -1.493165    0.022669
     49          1           0       -1.454298    1.738211   -2.032505
     50          1           0       -0.947257    3.019301   -0.843885
     51          1           0       -0.397744    0.683121    0.608896
     52          1           0       -4.720926   -1.897862   -3.045810
     53          1           0        1.120598    2.677225    0.117363
     54          1           0       -3.218267    0.056371    0.775364
     55          1           0       -1.781182    1.871353    1.840459
     56          1           0       -2.066709    3.485527    1.072475
     57          1           0       -3.083537   -3.840427   -2.374007
     58          1           0       -2.330736   -2.189682   -2.563494
     59          1           0       -0.717200   -4.201712   -2.324412
     60          1           0       -0.409020   -2.815281   -1.195020
     61          1           0        1.577489    1.113790   -2.539388
     62          1           0        0.780390    2.726243   -2.326350
     63          1           0       -6.900539   -0.785835   -1.138441
     64          1           0       -7.094468   -1.085018   -2.914869
     65          1           0       -5.908548    0.157318   -2.335130
     66          1           0       -6.403185   -3.318638   -0.853256
     67          1           0       -5.172096   -4.088753   -1.937520
     68          1           0       -6.704494   -3.433077   -2.637003
     69          1           0       -0.259495   -4.848670    0.137132
     70          1           0       -1.762679   -5.543952   -0.621526
     71          1           0        2.420687    0.015582   -0.220162
     72          1           0       -1.971654   -4.377524    1.718970
     73          1           0       -0.931141   -0.560518   -1.284487
     74          1           0       -4.394089    4.366742    0.853106
     75          1           0       -3.523950    0.748516    3.059688
     76          1           0        2.188778    4.593895   -1.178788
     77          1           0        3.893987    1.037211   -2.948399
     78          1           0        3.741202    0.315547    3.085666
     79          1           0        4.873985    0.800603    1.721064
     80          1           0       -6.602515    4.528745    1.995534
     81          1           0       -5.733120    0.909353    4.191158
     82          1           0       -7.276953    2.800510    3.665739
     83          1           0        4.371051    5.767334   -1.437554
     84          1           0        6.075356    2.211283   -3.202541
     85          1           0        6.318470    4.579032   -2.451544
     86          1           0        6.628478   -3.083012   -1.358420
     87          1           0        7.687065   -2.950263    2.825718
     88          1           0        4.550323   -2.253917   -2.104532
     89          1           0        4.344125   -0.595488   -1.391490
     90          1           0        3.251611   -1.943914   -0.870380
     91          1           0        6.114455   -2.190096    4.424323
     92          1           0        4.449278   -1.675338    3.915857
     93          1           0        5.823480   -0.489416    3.865748
     94          1           0        8.196662   -3.646879    0.494643
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0834189      0.0386172      0.0336788
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3191.9598842531 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.242668376960     A.U. after   14 cycles
             Convg  =    0.7020D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.001354640    0.001017494   -0.000839075
      2        8           0.000757813   -0.000089405   -0.000376711
      3        8           0.000252699   -0.000618491    0.000282796
      4        8          -0.000777106    0.000696546   -0.000870776
      5        8           0.002369368    0.001283931   -0.001081661
      6        7          -0.000817273   -0.000050946    0.001072497
      7        7           0.000727936   -0.002048802    0.000759479
      8        7           0.001054777   -0.000633397   -0.000511861
      9        7          -0.001048496    0.000675499    0.000242094
     10        6          -0.000303980    0.000850061    0.000993760
     11        6           0.000533485   -0.000310329    0.000860504
     12        6           0.001255945    0.001080445    0.000194471
     13        6          -0.001291168   -0.002429788   -0.000517461
     14        6           0.000357464   -0.000826790   -0.001112914
     15        6          -0.002485639    0.001529949    0.001819762
     16        6          -0.000109091   -0.000197339   -0.000142539
     17        6           0.000095405    0.000121344   -0.000358221
     18        6          -0.000111336   -0.000208450   -0.000632332
     19        6          -0.000482611    0.000432317   -0.000096256
     20        6          -0.000183721    0.001218688   -0.000425217
     21        6           0.000499892   -0.000555904   -0.001414560
     22        6          -0.000491310    0.000142457    0.000206139
     23        6           0.000216474    0.000357890    0.000125682
     24        6           0.000433831   -0.000257183    0.000441947
     25        6           0.000034295    0.000317439   -0.000171017
     26        6          -0.000006549   -0.000521027   -0.000488325
     27        6          -0.000482301   -0.001028564    0.000301583
     28        6           0.000089268   -0.000287508    0.000054460
     29        6           0.000127675   -0.000262125    0.000033044
     30        6           0.000022648    0.000263872   -0.000118400
     31        6          -0.000051107    0.000125624    0.000206567
     32        6           0.000278550   -0.000357592    0.000948183
     33        6          -0.000215877    0.000017679   -0.000029263
     34        6           0.000034778    0.000147501   -0.000035113
     35        6          -0.000025867   -0.000006843    0.000009974
     36        6          -0.000102401   -0.000055646   -0.000177915
     37        6           0.000158645   -0.000110967    0.000072291
     38        6           0.000005023   -0.000009247    0.000009425
     39        6          -0.001281077   -0.001582401    0.002128943
     40        6           0.000747595    0.001005501   -0.002264760
     41        6          -0.000694681   -0.000225174    0.000843257
     42        6          -0.000937598    0.000230091    0.000107832
     43        6           0.000298630    0.000295213   -0.000257940
     44        6          -0.000488201   -0.000065352    0.000242403
     45        6           0.000007456    0.000332957   -0.000479507
     46        6           0.000672236   -0.000230289   -0.000146773
     47        1           0.000414120    0.000421173    0.000185527
     48        1          -0.000292925    0.000267373   -0.000196552
     49        1          -0.000255231    0.000134341   -0.000807724
     50        1           0.000668329   -0.000535210    0.000418787
     51        1           0.000051930    0.000211300   -0.000087834
     52        1           0.000133407    0.000273600    0.000163277
     53        1           0.000002837   -0.000297168    0.000237710
     54        1          -0.000495378    0.001079895   -0.000500541
     55        1           0.000067290   -0.000517878    0.000092014
     56        1           0.000001652    0.000306843   -0.000170279
     57        1          -0.000372242    0.000126225    0.000129456
     58        1           0.000458573    0.000310041   -0.000297579
     59        1          -0.000121958   -0.000134727   -0.000237395
     60        1          -0.000476797   -0.000491636    0.000041241
     61        1           0.000062398    0.000213900    0.000082905
     62        1           0.000429373    0.000274988    0.000409986
     63        1           0.000069691   -0.000149471    0.000184030
     64        1           0.000063860   -0.000110598   -0.000116916
     65        1          -0.000283756    0.000310183    0.000177257
     66        1           0.000135628   -0.000129060    0.000075134
     67        1          -0.000096025   -0.000138342   -0.000104524
     68        1           0.000081765    0.000026569   -0.000088858
     69        1          -0.000237307    0.000029297   -0.000050548
     70        1          -0.000130358   -0.000100366   -0.000381155
     71        1          -0.000043582    0.000054279    0.000057276
     72        1           0.000174620   -0.000146158    0.000001240
     73        1          -0.000821912   -0.000204811    0.000669134
     74        1           0.000030425    0.000148266   -0.000040102
     75        1          -0.000114882    0.000083351    0.000018007
     76        1           0.000031183   -0.000176670    0.000108876
     77        1          -0.000060296   -0.000165446   -0.000063042
     78        1          -0.000022981    0.000350932    0.000017864
     79        1           0.000527469   -0.000113952   -0.000171765
     80        1           0.000105605    0.000007975    0.000024783
     81        1          -0.000012752   -0.000078437    0.000026897
     82        1           0.000034240   -0.000045269    0.000007197
     83        1           0.000066359    0.000031663    0.000073511
     84        1          -0.000072445    0.000040732   -0.000035570
     85        1           0.000000250    0.000047755    0.000000830
     86        1           0.000186083   -0.000017823    0.000044894
     87        1          -0.000116480   -0.000035559   -0.000080830
     88        1          -0.000212248    0.000016383   -0.000053506
     89        1           0.000253496   -0.000110703    0.000150905
     90        1           0.000316183   -0.000166532    0.000291278
     91        1          -0.000171991   -0.000075904   -0.000004770
     92        1           0.000118802   -0.000168926    0.000015593
     93        1           0.000007611    0.000137059    0.000228935
     94        1          -0.000080770    0.000033584    0.000146449
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002485639 RMS     0.000568773

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003995152 RMS     0.000578455
 Search for a local minimum.
 Step number  12 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    8   10    9   11   12
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00138   0.00221   0.00230   0.00230   0.00233
     Eigenvalues ---    0.00237   0.00242   0.00265   0.00332   0.00405
     Eigenvalues ---    0.00429   0.00447   0.00477   0.00484   0.00552
     Eigenvalues ---    0.00661   0.00678   0.00746   0.00861   0.01043
     Eigenvalues ---    0.01267   0.01311   0.01356   0.01394   0.01403
     Eigenvalues ---    0.01434   0.01437   0.01441   0.01512   0.01525
     Eigenvalues ---    0.01835   0.01957   0.02013   0.02081   0.02084
     Eigenvalues ---    0.02101   0.02118   0.02127   0.02144   0.02150
     Eigenvalues ---    0.02152   0.02152   0.02160   0.02166   0.02169
     Eigenvalues ---    0.02172   0.02173   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02183   0.02187   0.02187
     Eigenvalues ---    0.02188   0.02327   0.02530   0.03104   0.03363
     Eigenvalues ---    0.03442   0.03541   0.03751   0.03760   0.03912
     Eigenvalues ---    0.04068   0.04119   0.04349   0.04398   0.04564
     Eigenvalues ---    0.04752   0.04866   0.04901   0.04991   0.05039
     Eigenvalues ---    0.05105   0.05369   0.05387   0.05400   0.05442
     Eigenvalues ---    0.05547   0.05582   0.05600   0.05618   0.05673
     Eigenvalues ---    0.05706   0.05936   0.05995   0.06808   0.07030
     Eigenvalues ---    0.07090   0.07121   0.07223   0.07374   0.07531
     Eigenvalues ---    0.07558   0.07960   0.08170   0.08550   0.09105
     Eigenvalues ---    0.09318   0.09414   0.09474   0.10941   0.11472
     Eigenvalues ---    0.12249   0.12436   0.12694   0.12870   0.13988
     Eigenvalues ---    0.15773   0.15876   0.15917   0.15960   0.15980
     Eigenvalues ---    0.15994   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16008   0.16024   0.16065   0.16119   0.16306
     Eigenvalues ---    0.16532   0.16854   0.17080   0.17299   0.18807
     Eigenvalues ---    0.19015   0.19305   0.19637   0.20018   0.20311
     Eigenvalues ---    0.21757   0.21834   0.21963   0.21996   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22078   0.22233   0.22442
     Eigenvalues ---    0.23168   0.23416   0.23479   0.23511   0.23887
     Eigenvalues ---    0.24440   0.24653   0.24858   0.24976   0.24993
     Eigenvalues ---    0.24998   0.24998   0.25023   0.25121   0.25228
     Eigenvalues ---    0.25361   0.26367   0.26698   0.26873   0.27297
     Eigenvalues ---    0.27359   0.27839   0.27876   0.28366   0.28606
     Eigenvalues ---    0.28702   0.29210   0.29817   0.30090   0.30493
     Eigenvalues ---    0.30713   0.31926   0.32538   0.33201   0.34171
     Eigenvalues ---    0.34306   0.34470   0.34513   0.34547   0.34611
     Eigenvalues ---    0.34639   0.34661   0.34686   0.34699   0.34706
     Eigenvalues ---    0.34733   0.34734   0.34738   0.34747   0.34748
     Eigenvalues ---    0.34751   0.34764   0.34773   0.34781   0.34790
     Eigenvalues ---    0.34799   0.34808   0.34818   0.34831   0.34833
     Eigenvalues ---    0.34848   0.34853   0.34872   0.34914   0.35041
     Eigenvalues ---    0.35589   0.35845   0.35891   0.35901   0.35922
     Eigenvalues ---    0.35946   0.35968   0.35983   0.35992   0.36002
     Eigenvalues ---    0.36003   0.36025   0.36033   0.36061   0.36944
     Eigenvalues ---    0.37384   0.39234   0.40585   0.41789   0.42187
     Eigenvalues ---    0.42251   0.42331   0.42394   0.42578   0.44812
     Eigenvalues ---    0.45423   0.45670   0.45946   0.45994   0.46069
     Eigenvalues ---    0.46100   0.46138   0.46253   0.46347   0.46429
     Eigenvalues ---    0.46762   0.46764   0.46911   0.47057   0.47247
     Eigenvalues ---    0.48336   0.49605   0.53011   0.54825   0.55480
     Eigenvalues ---    0.58167   0.61323   0.89991   0.90482   0.92250
     Eigenvalues ---    0.972341000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 RFO step:  Lambda=-1.61488396D-03 EMin= 1.38326936D-03
 Quartic linear search produced a step of -0.00044.
 Maximum step size (   0.178) exceeded in Quadratic search.
    -- Step size scaled by   0.364
 Iteration  1 RMS(Cart)=  0.07122881 RMS(Int)=  0.00046098
 Iteration  2 RMS(Cart)=  0.00109051 RMS(Int)=  0.00000457
 Iteration  3 RMS(Cart)=  0.00000029 RMS(Int)=  0.00000457
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    R1        2.68932   0.00005   0.00000   0.00013   0.00013   2.68944
    R2        1.82439   0.00042   0.00000   0.00069   0.00069   1.82508
    R3        2.35669  -0.00047   0.00000  -0.00025  -0.00025   2.35644
    R4        2.37996  -0.00066   0.00000  -0.00028  -0.00029   2.37967
    R5        2.36060   0.00118   0.00000   0.00052   0.00052   2.36112
    R6        2.70482   0.00048   0.00000   0.00001   0.00001   2.70483
    R7        2.63282  -0.00068   0.00000  -0.00036  -0.00036   2.63246
    R8        2.73250  -0.00200   0.00000  -0.00131  -0.00131   2.73120
    R9        2.72785  -0.00121   0.00000   0.00007   0.00007   2.72792
   R10        2.65638  -0.00011   0.00000   0.00025   0.00025   2.65663
   R11        2.73534  -0.00247   0.00000  -0.00136  -0.00135   2.73398
   R12        2.59863  -0.00133   0.00000  -0.00054  -0.00054   2.59809
   R13        1.87971   0.00080   0.00000   0.00125   0.00125   1.88097
   R14        2.72244   0.00155   0.00000   0.00123   0.00123   2.72367
   R15        2.59286   0.00018   0.00000  -0.00026  -0.00027   2.59259
   R16        1.87985   0.00002   0.00000  -0.00035  -0.00035   1.87950
   R17        2.63083  -0.00069   0.00000  -0.00053  -0.00053   2.63029
   R18        2.70740   0.00028   0.00000   0.00117   0.00118   2.70858
   R19        1.87287   0.00001   0.00000   0.00023   0.00023   1.87310
   R20        2.90890  -0.00101   0.00000  -0.00115  -0.00115   2.90774
   R21        2.91167   0.00022   0.00000  -0.00010  -0.00010   2.91157
   R22        2.14808  -0.00041   0.00000  -0.00088  -0.00089   2.14719
   R23        2.92086  -0.00054   0.00000  -0.00147  -0.00147   2.91939
   R24        2.94118  -0.00190   0.00000  -0.00171  -0.00171   2.93948
   R25        2.14575   0.00037   0.00000   0.00056   0.00056   2.14630
   R26        2.88321  -0.00138   0.00000  -0.00058  -0.00058   2.88263
   R27        2.12723  -0.00069   0.00000  -0.00060  -0.00060   2.12663
   R28        2.11803  -0.00022   0.00000  -0.00073  -0.00073   2.11730
   R29        2.95179  -0.00249   0.00000  -0.00477  -0.00478   2.94701
   R30        2.12968   0.00023   0.00000  -0.00009  -0.00009   2.12959
   R31        2.86686   0.00052   0.00000   0.00049   0.00049   2.86735
   R32        2.85968   0.00020   0.00000   0.00070   0.00070   2.86039
   R33        2.12818  -0.00013   0.00000  -0.00018  -0.00018   2.12801
   R34        2.91449  -0.00120   0.00000  -0.00204  -0.00204   2.91245
   R35        2.14061  -0.00020   0.00000  -0.00023  -0.00023   2.14038
   R36        2.81103   0.00001   0.00000   0.00013   0.00013   2.81117
   R37        2.12167  -0.00002   0.00000   0.00001   0.00001   2.12168
   R38        2.12221  -0.00014   0.00000  -0.00024  -0.00024   2.12197
   R39        2.88757  -0.00105   0.00000  -0.00032  -0.00032   2.88725
   R40        2.13447   0.00020   0.00000   0.00018   0.00018   2.13465
   R41        2.13621  -0.00052   0.00000  -0.00052  -0.00052   2.13569
   R42        2.88700   0.00003   0.00000   0.00020   0.00021   2.88721
   R43        2.11526  -0.00018   0.00000   0.00002   0.00002   2.11528
   R44        2.11958   0.00027   0.00000  -0.00001  -0.00001   2.11957
   R45        2.80750   0.00062   0.00000   0.00074   0.00074   2.80823
   R46        2.12164   0.00012   0.00000   0.00008   0.00008   2.12172
   R47        2.12441  -0.00040   0.00000  -0.00067  -0.00067   2.12375
   R48        2.11080  -0.00024   0.00000  -0.00033  -0.00033   2.11047
   R49        2.11085  -0.00015   0.00000  -0.00024  -0.00024   2.11061
   R50        2.11174  -0.00023   0.00000  -0.00032  -0.00032   2.11142
   R51        2.11129  -0.00015   0.00000  -0.00019  -0.00019   2.11110
   R52        2.10879  -0.00011   0.00000  -0.00028  -0.00028   2.10851
   R53        2.11232  -0.00011   0.00000  -0.00013  -0.00013   2.11219
   R54        2.13136  -0.00021   0.00000   0.00009   0.00009   2.13145
   R55        2.13726  -0.00039   0.00000  -0.00054  -0.00054   2.13672
   R56        2.64583  -0.00005   0.00000  -0.00008  -0.00008   2.64576
   R57        2.64580  -0.00014   0.00000  -0.00017  -0.00017   2.64562
   R58        2.64704   0.00001   0.00000   0.00004   0.00004   2.64708
   R59        2.64507   0.00007   0.00000   0.00002   0.00002   2.64509
   R60        2.88516   0.00172   0.00000   0.00031   0.00031   2.88546
   R61        2.63329   0.00004   0.00000   0.00007   0.00007   2.63336
   R62        2.07947  -0.00015   0.00000  -0.00022  -0.00022   2.07925
   R63        2.63447   0.00003   0.00000   0.00009   0.00009   2.63456
   R64        2.08078  -0.00010   0.00000  -0.00011  -0.00011   2.08066
   R65        2.63280   0.00003   0.00000   0.00007   0.00007   2.63287
   R66        2.07966  -0.00017   0.00000  -0.00024  -0.00024   2.07942
   R67        2.63452   0.00005   0.00000   0.00009   0.00009   2.63461
   R68        2.07989  -0.00014   0.00000  -0.00022  -0.00022   2.07967
   R69        2.12127   0.00021   0.00000  -0.00053  -0.00053   2.12074
   R70        2.11716   0.00030   0.00000   0.00070   0.00070   2.11786
   R71        2.63604   0.00001   0.00000   0.00007   0.00007   2.63611
   R72        2.07878  -0.00011   0.00000  -0.00016  -0.00016   2.07862
   R73        2.63541   0.00004   0.00000   0.00010   0.00010   2.63551
   R74        2.07915  -0.00008   0.00000  -0.00010  -0.00010   2.07905
   R75        2.07810  -0.00006   0.00000  -0.00008  -0.00008   2.07803
   R76        2.63629   0.00004   0.00000   0.00013   0.00013   2.63642
   R77        2.07876  -0.00010   0.00000  -0.00014  -0.00014   2.07863
   R78        2.63481   0.00003   0.00000   0.00010   0.00010   2.63491
   R79        2.07850  -0.00009   0.00000  -0.00012  -0.00012   2.07838
   R80        2.07774  -0.00004   0.00000  -0.00005  -0.00005   2.07769
   R81        2.66684  -0.00159   0.00000  -0.00082  -0.00082   2.66602
   R82        2.65587  -0.00053   0.00000  -0.00078  -0.00078   2.65509
   R83        2.64099  -0.00011   0.00000  -0.00053  -0.00053   2.64046
   R84        2.79586   0.00049   0.00000   0.00140   0.00140   2.79726
   R85        2.64567  -0.00005   0.00000   0.00005   0.00005   2.64571
   R86        2.79641   0.00032   0.00000   0.00089   0.00089   2.79730
   R87        2.63264   0.00043   0.00000   0.00060   0.00060   2.63324
   R88        2.07938   0.00005   0.00000   0.00000   0.00000   2.07939
   R89        2.63026  -0.00003   0.00000  -0.00067  -0.00067   2.62959
   R90        2.08004  -0.00006   0.00000  -0.00005  -0.00005   2.07998
   R91        2.11151  -0.00010   0.00000  -0.00024  -0.00024   2.11127
   R92        2.11788  -0.00017   0.00000  -0.00015  -0.00015   2.11773
   R93        2.11605  -0.00025   0.00000  -0.00014  -0.00014   2.11591
   R94        2.11278  -0.00018   0.00000  -0.00022  -0.00022   2.11256
   R95        2.11527  -0.00020   0.00000  -0.00023  -0.00023   2.11504
   R96        2.11648  -0.00025   0.00000  -0.00031  -0.00031   2.11617
   R97        2.07928  -0.00004   0.00000   0.00001   0.00001   2.07929
    A1        1.86672   0.00035   0.00000  -0.00119  -0.00119   1.86553
    A2        1.99329  -0.00069   0.00000  -0.00188  -0.00188   1.99141
    A3        2.08461  -0.00197   0.00000  -0.00163  -0.00165   2.08296
    A4        2.07918   0.00138   0.00000   0.00098   0.00095   2.08013
    A5        2.11863   0.00062   0.00000   0.00122   0.00116   2.11979
    A6        2.14054  -0.00085   0.00000   0.00003   0.00002   2.14056
    A7        2.05230   0.00056   0.00000  -0.00054  -0.00055   2.05176
    A8        2.07925   0.00036   0.00000  -0.00069  -0.00070   2.07855
    A9        2.14482   0.00057   0.00000   0.00172   0.00171   2.14652
   A10        2.04705  -0.00035   0.00000  -0.00146  -0.00148   2.04557
   A11        2.08389  -0.00026   0.00000  -0.00140  -0.00141   2.08247
   A12        2.14123  -0.00001   0.00000   0.00071   0.00070   2.14193
   A13        2.04420   0.00019   0.00000   0.00061   0.00061   2.04481
   A14        2.09439  -0.00015   0.00000  -0.00081  -0.00081   2.09358
   A15        1.99003  -0.00304   0.00000  -0.00553  -0.00553   1.98450
   A16        1.94945   0.00151   0.00000  -0.00002  -0.00005   1.94941
   A17        1.87632   0.00036   0.00000   0.00089   0.00089   1.87721
   A18        1.91926   0.00076   0.00000  -0.00248  -0.00250   1.91676
   A19        1.84478   0.00098   0.00000   0.00486   0.00486   1.84964
   A20        1.87706  -0.00050   0.00000   0.00321   0.00321   1.88028
   A21        2.01191   0.00032   0.00000  -0.00181  -0.00181   2.01011
   A22        1.90326  -0.00400   0.00000  -0.00365  -0.00364   1.89961
   A23        1.88153   0.00124   0.00000   0.00406   0.00406   1.88559
   A24        1.90583   0.00309   0.00000   0.00363   0.00363   1.90946
   A25        1.86429  -0.00084   0.00000   0.00052   0.00052   1.86481
   A26        1.89362   0.00024   0.00000  -0.00280  -0.00280   1.89081
   A27        1.99843  -0.00253   0.00000  -0.00700  -0.00700   1.99143
   A28        1.88983   0.00024   0.00000  -0.00105  -0.00106   1.88878
   A29        1.86588   0.00171   0.00000   0.00557   0.00558   1.87146
   A30        1.89241   0.00102   0.00000   0.00184   0.00183   1.89424
   A31        1.92603   0.00017   0.00000   0.00176   0.00177   1.92781
   A32        1.88827  -0.00056   0.00000  -0.00096  -0.00096   1.88731
   A33        1.93805   0.00050   0.00000  -0.00037  -0.00038   1.93768
   A34        1.85767  -0.00001   0.00000   0.00047   0.00047   1.85813
   A35        1.90275  -0.00029   0.00000  -0.00171  -0.00171   1.90103
   A36        1.94339  -0.00019   0.00001   0.00447   0.00447   1.94786
   A37        1.92117  -0.00032   0.00000  -0.00365  -0.00366   1.91751
   A38        1.89916   0.00032   0.00000   0.00087   0.00087   1.90004
   A39        1.90316   0.00106   0.00000   0.00196   0.00196   1.90511
   A40        1.94500  -0.00084   0.00000  -0.00065  -0.00065   1.94435
   A41        1.89221   0.00002   0.00000   0.00062   0.00062   1.89282
   A42        1.91058  -0.00018   0.00000  -0.00133  -0.00133   1.90924
   A43        1.89594  -0.00016   0.00000  -0.00004  -0.00005   1.89590
   A44        1.91621   0.00013   0.00000  -0.00049  -0.00049   1.91572
   A45        1.94447   0.00030   0.00000  -0.00029  -0.00030   1.94417
   A46        1.96458   0.00004   0.00000  -0.00318  -0.00319   1.96140
   A47        1.88312   0.00002   0.00000   0.00202   0.00202   1.88514
   A48        1.90264  -0.00037   0.00000   0.00059   0.00059   1.90322
   A49        1.86756  -0.00004   0.00000   0.00018   0.00018   1.86774
   A50        1.89835   0.00005   0.00000   0.00090   0.00090   1.89926
   A51        1.95259   0.00017   0.00000   0.00016   0.00016   1.95276
   A52        1.92409  -0.00038   0.00000  -0.00196  -0.00196   1.92213
   A53        1.87631   0.00028   0.00000   0.00169   0.00169   1.87800
   A54        1.91828   0.00025   0.00000   0.00172   0.00172   1.92001
   A55        1.91559  -0.00024   0.00000  -0.00044  -0.00044   1.91515
   A56        1.87493  -0.00009   0.00000  -0.00125  -0.00125   1.87368
   A57        2.13127   0.00054   0.00000   0.00060   0.00058   2.13185
   A58        2.13094   0.00118   0.00000   0.00182   0.00181   2.13275
   A59        2.02013  -0.00178   0.00000  -0.00278  -0.00279   2.01734
   A60        1.98126  -0.00001   0.00000   0.00233   0.00231   1.98356
   A61        1.90539  -0.00022   0.00000  -0.00085  -0.00085   1.90455
   A62        1.88845   0.00006   0.00000  -0.00041  -0.00041   1.88804
   A63        1.89509   0.00054   0.00000   0.00020   0.00020   1.89529
   A64        1.91237  -0.00040   0.00000  -0.00100  -0.00099   1.91138
   A65        1.87869   0.00003   0.00000  -0.00039  -0.00040   1.87829
   A66        1.92942  -0.00012   0.00000   0.00168   0.00166   1.93109
   A67        1.90002   0.00002   0.00000  -0.00065  -0.00065   1.89937
   A68        1.92332  -0.00031   0.00000   0.00041   0.00042   1.92374
   A69        1.90485   0.00013   0.00000   0.00063   0.00064   1.90549
   A70        1.91817   0.00041   0.00000  -0.00001   0.00000   1.91816
   A71        1.88736  -0.00013   0.00000  -0.00215  -0.00216   1.88521
   A72        1.97400  -0.00019   0.00000  -0.00176  -0.00176   1.97224
   A73        1.90480  -0.00007   0.00000  -0.00072  -0.00073   1.90407
   A74        1.87287  -0.00005   0.00000   0.00174   0.00174   1.87461
   A75        1.92899   0.00027   0.00000   0.00099   0.00098   1.92997
   A76        1.90468   0.00018   0.00000   0.00091   0.00092   1.90560
   A77        1.87513  -0.00014   0.00000  -0.00111  -0.00111   1.87403
   A78        2.10936   0.00024   0.00000   0.00015   0.00016   2.10952
   A79        2.08539   0.00023   0.00000   0.00043   0.00044   2.08582
   A80        2.08779  -0.00048   0.00000  -0.00051  -0.00053   2.08725
   A81        1.93434  -0.00016   0.00000  -0.00039  -0.00039   1.93395
   A82        1.91473  -0.00010   0.00000  -0.00046  -0.00046   1.91427
   A83        1.92861   0.00059   0.00000   0.00115   0.00115   1.92976
   A84        1.89183   0.00005   0.00000   0.00012   0.00012   1.89196
   A85        1.90091  -0.00013   0.00000   0.00014   0.00014   1.90105
   A86        1.89252  -0.00026   0.00000  -0.00059  -0.00059   1.89194
   A87        1.92947   0.00009   0.00000   0.00010   0.00010   1.92957
   A88        1.94798  -0.00029   0.00000   0.00027   0.00028   1.94826
   A89        1.91404   0.00012   0.00000   0.00013   0.00013   1.91418
   A90        1.89349   0.00004   0.00000  -0.00029  -0.00029   1.89321
   A91        1.89174  -0.00001   0.00000   0.00007   0.00007   1.89181
   A92        1.88570   0.00007   0.00000  -0.00030  -0.00031   1.88539
   A93        1.96585  -0.00006   0.00000   0.00035   0.00034   1.96619
   A94        1.89597  -0.00008   0.00000  -0.00021  -0.00021   1.89577
   A95        1.91364   0.00000   0.00000  -0.00063  -0.00063   1.91300
   A96        1.90980   0.00004   0.00000  -0.00091  -0.00090   1.90890
   A97        1.90021   0.00004   0.00000   0.00107   0.00107   1.90127
   A98        1.87630   0.00005   0.00000   0.00033   0.00033   1.87663
   A99        2.09902  -0.00017   0.00000  -0.00037  -0.00037   2.09865
   A100       2.10160   0.00007   0.00000   0.00010   0.00010   2.10170
   A101       2.08255   0.00010   0.00000   0.00027   0.00027   2.08282
   A102       2.09990  -0.00003   0.00000  -0.00008  -0.00008   2.09982
   A103       2.10289   0.00002   0.00000  -0.00006  -0.00006   2.10283
   A104       2.08022   0.00001   0.00000   0.00015   0.00015   2.08037
   A105       2.13687  -0.00027   0.00000   0.00083   0.00083   2.13771
   A106       2.06311   0.00007   0.00000  -0.00013  -0.00013   2.06297
   A107       2.08200   0.00023   0.00000  -0.00071  -0.00071   2.08129
   A108       2.09965  -0.00001   0.00000  -0.00004  -0.00004   2.09961
   A109       2.08874   0.00006   0.00000   0.00015   0.00015   2.08889
   A110       2.09479  -0.00004   0.00000  -0.00011  -0.00011   2.09469
   A111       2.09888  -0.00005   0.00000  -0.00018  -0.00018   2.09871
   A112       2.09389   0.00011   0.00000   0.00036   0.00036   2.09425
   A113       2.09041  -0.00006   0.00000  -0.00018  -0.00018   2.09023
   A114       2.10080   0.00001   0.00000  -0.00002  -0.00002   2.10078
   A115       2.08763   0.00004   0.00000   0.00016   0.00016   2.08779
   A116       2.09472  -0.00005   0.00000  -0.00013  -0.00013   2.09459
   A117       2.10057  -0.00001   0.00000  -0.00008  -0.00008   2.10049
   A118       2.08989   0.00011   0.00000   0.00038   0.00038   2.09027
   A119       2.09272  -0.00010   0.00000  -0.00030  -0.00030   2.09243
   A120       1.92683   0.00177   0.00000   0.00318   0.00318   1.93001
   A121       1.88499  -0.00074   0.00000  -0.00248  -0.00248   1.88251
   A122       1.95299  -0.00057   0.00000  -0.00076  -0.00076   1.95223
   A123       1.89102  -0.00053   0.00000  -0.00259  -0.00260   1.88842
   A124       1.88527   0.00002   0.00000   0.00147   0.00147   1.88674
   A125       1.92201   0.00007   0.00000   0.00113   0.00113   1.92315
   A126       2.09669  -0.00006   0.00000  -0.00015  -0.00015   2.09654
   A127       2.09189   0.00003   0.00000   0.00010   0.00010   2.09199
   A128       2.09461   0.00003   0.00000   0.00005   0.00005   2.09466
   A129       2.09709  -0.00001   0.00000  -0.00001  -0.00001   2.09708
   A130       2.09052  -0.00003   0.00000  -0.00012  -0.00012   2.09040
   A131       2.09558   0.00004   0.00000   0.00013   0.00013   2.09571
   A132       2.09151   0.00003   0.00000   0.00011   0.00011   2.09162
   A133       2.09571  -0.00001   0.00000  -0.00005  -0.00005   2.09565
   A134       2.09597  -0.00002   0.00000  -0.00005  -0.00005   2.09592
   A135       2.09691  -0.00003   0.00000  -0.00012  -0.00012   2.09679
   A136       2.09170   0.00003   0.00000   0.00013   0.00013   2.09183
   A137       2.09458   0.00000   0.00000  -0.00002  -0.00002   2.09457
   A138       2.09715  -0.00003   0.00000  -0.00006  -0.00006   2.09709
   A139       2.09173   0.00002   0.00000   0.00003   0.00003   2.09176
   A140       2.09431   0.00001   0.00000   0.00003   0.00003   2.09434
   A141       2.09072   0.00005   0.00000   0.00013   0.00013   2.09085
   A142       2.09600  -0.00003   0.00000  -0.00009  -0.00009   2.09591
   A143       2.09647  -0.00002   0.00000  -0.00004  -0.00004   2.09643
   A144       2.03492   0.00186   0.00000   0.00524   0.00524   2.04015
   A145       2.12413  -0.00182   0.00000  -0.00447  -0.00447   2.11966
   A146       2.12042  -0.00004   0.00000  -0.00092  -0.00093   2.11950
   A147       2.06860   0.00007   0.00000  -0.00018  -0.00018   2.06842
   A148       2.10329   0.00069   0.00000   0.00241   0.00241   2.10571
   A149       2.11127  -0.00076   0.00000  -0.00223  -0.00223   2.10904
   A150       2.06479   0.00060   0.00000   0.00166   0.00166   2.06645
   A151       2.12188  -0.00046   0.00000  -0.00088  -0.00088   2.12100
   A152       2.09650  -0.00014   0.00000  -0.00078  -0.00078   2.09572
   A153       2.10334   0.00026   0.00000   0.00108   0.00108   2.10442
   A154       2.08452   0.00005   0.00000   0.00003   0.00003   2.08455
   A155       2.09532  -0.00032   0.00000  -0.00111  -0.00111   2.09421
   A156       2.10801  -0.00044   0.00000  -0.00077  -0.00077   2.10724
   A157       2.08337   0.00012   0.00000   0.00014   0.00014   2.08351
   A158       2.09178   0.00031   0.00000   0.00063   0.00063   2.09241
   A159       1.94042   0.00020   0.00000   0.00021   0.00021   1.94064
   A160       1.92191  -0.00009   0.00000  -0.00024  -0.00024   1.92167
   A161       1.92397   0.00002   0.00000   0.00064   0.00064   1.92460
   A162       1.89456  -0.00017   0.00000  -0.00104  -0.00104   1.89352
   A163       1.89769  -0.00022   0.00000  -0.00088  -0.00088   1.89681
   A164       1.88406   0.00026   0.00000   0.00131   0.00131   1.88537
   A165       1.93717   0.00008   0.00000   0.00036   0.00036   1.93753
   A166       1.92775  -0.00006   0.00000  -0.00019  -0.00019   1.92755
   A167       1.92361  -0.00006   0.00000  -0.00025  -0.00025   1.92336
   A168       1.89334   0.00001   0.00000   0.00005   0.00005   1.89338
   A169       1.88945   0.00002   0.00000   0.00011   0.00011   1.88956
   A170       1.89134   0.00001   0.00000  -0.00007  -0.00007   1.89127
   A171       2.10104  -0.00045   0.00000  -0.00084  -0.00084   2.10019
   A172       2.09212   0.00008   0.00000   0.00005   0.00005   2.09217
   A173       2.09002   0.00038   0.00000   0.00079   0.00079   2.09082
    D1       -1.00378   0.00067   0.00001   0.02816   0.02818  -0.97561
    D2       -3.12162   0.00062   0.00000   0.02264   0.02265  -3.09897
    D3        1.11577   0.00040   0.00001   0.02224   0.02225   1.13801
    D4        2.50344   0.00008   0.00000  -0.01417  -0.01417   2.48927
    D5       -1.71516   0.00000   0.00000  -0.01698  -0.01698  -1.73214
    D6        0.40308  -0.00077   0.00000  -0.01770  -0.01770   0.38538
    D7       -2.07876   0.00008   0.00000   0.00605   0.00605  -2.07270
    D8        1.15409   0.00011   0.00000   0.00797   0.00797   1.16206
    D9        0.85482   0.00037   0.00001  -0.02104  -0.02103   0.83379
   D10       -1.29557  -0.00079   0.00001  -0.02164  -0.02164  -1.31722
   D11        2.93501   0.00040   0.00001  -0.01859  -0.01858   2.91642
   D12       -2.24537  -0.00028   0.00000  -0.03635  -0.03635  -2.28172
   D13        1.88742  -0.00144   0.00000  -0.03696  -0.03696   1.85046
   D14       -0.16519  -0.00025   0.00000  -0.03391  -0.03390  -0.19909
   D15        2.76313  -0.00080  -0.00001   0.00038   0.00038   2.76351
   D16       -1.40334  -0.00027  -0.00001   0.00158   0.00158  -1.40176
   D17        0.63652  -0.00032  -0.00001   0.00042   0.00042   0.63694
   D18       -0.42083  -0.00012   0.00000   0.01604   0.01605  -0.40478
   D19        1.69589   0.00041   0.00000   0.01724   0.01725   1.71313
   D20       -2.54744   0.00036   0.00000   0.01608   0.01609  -2.53135
   D21       -0.07535   0.00027   0.00001   0.00068   0.00070  -0.07465
   D22        3.10534   0.00044   0.00001  -0.00138  -0.00136   3.10399
   D23        3.10848  -0.00034  -0.00001  -0.01487  -0.01489   3.09359
   D24        0.00599  -0.00016   0.00000  -0.01693  -0.01694  -0.01095
   D25       -1.25001   0.00040   0.00000   0.00343   0.00343  -1.24658
   D26        2.84411   0.00056   0.00000   0.01127   0.01127   2.85538
   D27        0.78885   0.00009   0.00000   0.00683   0.00684   0.79569
   D28        2.05266  -0.00010   0.00000   0.01211   0.01210   2.06476
   D29       -0.13641   0.00006   0.00000   0.01994   0.01994  -0.11647
   D30       -2.19166  -0.00041   0.00000   0.01551   0.01551  -2.17616
   D31        0.16766  -0.00092   0.00000   0.00325   0.00325   0.17090
   D32       -3.01735  -0.00229   0.00000  -0.00592  -0.00592  -3.02327
   D33       -3.13739  -0.00040   0.00000  -0.00553  -0.00554   3.14025
   D34       -0.03921  -0.00177   0.00000  -0.01471  -0.01471  -0.05392
   D35       -1.92285   0.00026   0.00000   0.02524   0.02524  -1.89761
   D36        2.21691   0.00049   0.00000   0.02703   0.02703   2.24394
   D37        0.12221   0.00039   0.00000   0.02652   0.02652   0.14872
   D38        1.08703  -0.00006   0.00000   0.01506   0.01506   1.10210
   D39       -1.05639   0.00017   0.00000   0.01685   0.01685  -1.03954
   D40        3.13209   0.00007   0.00000   0.01634   0.01634  -3.13476
   D41       -0.02114   0.00005  -0.00001  -0.00483  -0.00484  -0.02598
   D42       -3.10919  -0.00048   0.00001  -0.00457  -0.00455  -3.11374
   D43       -3.02836   0.00039  -0.00001   0.00556   0.00555  -3.02282
   D44        0.16678  -0.00015   0.00001   0.00582   0.00583   0.17261
   D45       -3.13353   0.00041   0.00000   0.00863   0.00864  -3.12490
   D46       -0.03050   0.00024   0.00000   0.01066   0.01066  -0.01984
   D47        0.09623   0.00013   0.00000   0.00191   0.00191   0.09814
   D48       -3.08393  -0.00004   0.00000   0.00394   0.00393  -3.08000
   D49        0.46382  -0.00020   0.00000  -0.00447  -0.00447   0.45935
   D50        2.58241  -0.00023   0.00000  -0.00554  -0.00553   2.57687
   D51       -1.65496  -0.00021   0.00000  -0.00562  -0.00561  -1.66057
   D52       -2.76839   0.00011   0.00000   0.00251   0.00251  -2.76588
   D53       -0.64980   0.00008   0.00000   0.00145   0.00145  -0.64835
   D54        1.39602   0.00010   0.00000   0.00136   0.00137   1.39738
   D55       -0.91476  -0.00016   0.00001   0.03066   0.03066  -0.88410
   D56        1.19866  -0.00035   0.00001   0.02763   0.02764   1.22630
   D57       -3.05365   0.00001   0.00001   0.02887   0.02888  -3.02477
   D58        1.29020   0.00013   0.00001   0.02429   0.02430   1.31450
   D59       -2.87957  -0.00006   0.00001   0.02126   0.02128  -2.85829
   D60       -0.84870   0.00030   0.00001   0.02250   0.02252  -0.82617
   D61       -2.97181   0.00044   0.00001   0.02946   0.02947  -2.94234
   D62       -0.85839   0.00025   0.00001   0.02643   0.02645  -0.83194
   D63        1.17248   0.00061   0.00001   0.02768   0.02769   1.20017
   D64       -1.07155  -0.00102   0.00000   0.00990   0.00990  -1.06165
   D65        1.06869  -0.00085   0.00000   0.01082   0.01082   1.07952
   D66        3.10735  -0.00101   0.00000   0.00924   0.00924   3.11659
   D67        2.98396   0.00124   0.00000   0.01916   0.01916   3.00313
   D68       -1.15897   0.00140   0.00000   0.02008   0.02009  -1.13889
   D69        0.87968   0.00125   0.00000   0.01850   0.01850   0.89818
   D70        0.98325  -0.00003   0.00000   0.01295   0.01295   0.99620
   D71        3.12350   0.00013   0.00000   0.01387   0.01387   3.13737
   D72       -1.12103  -0.00002   0.00000   0.01229   0.01229  -1.10874
   D73        3.07607   0.00097   0.00001  -0.00166  -0.00165   3.07442
   D74        0.96504   0.00103   0.00001  -0.00088  -0.00087   0.96417
   D75       -1.14578   0.00138   0.00001  -0.00027  -0.00025  -1.14603
   D76       -1.05809  -0.00163   0.00001  -0.00492  -0.00491  -1.06300
   D77        3.11407  -0.00157   0.00002  -0.00414  -0.00413   3.10994
   D78        1.00325  -0.00122   0.00001  -0.00353  -0.00351   0.99974
   D79        0.98637  -0.00020   0.00001  -0.00606  -0.00605   0.98032
   D80       -1.12466  -0.00014   0.00001  -0.00528  -0.00527  -1.12993
   D81        3.04771   0.00021   0.00001  -0.00466  -0.00465   3.04306
   D82        1.77049  -0.00075   0.00002  -0.02012  -0.02011   1.75038
   D83       -1.32770   0.00063   0.00002  -0.01092  -0.01090  -1.33860
   D84       -0.44192  -0.00053   0.00002  -0.01782  -0.01780  -0.45972
   D85        2.74308   0.00085   0.00002  -0.00861  -0.00859   2.73448
   D86       -2.46774  -0.00134   0.00002  -0.01886  -0.01884  -2.48658
   D87        0.71726   0.00004   0.00002  -0.00966  -0.00963   0.70763
   D88        1.72908  -0.00070   0.00000   0.00219   0.00219   1.73127
   D89       -2.48736  -0.00051   0.00001   0.00543   0.00544  -2.48192
   D90       -0.37964  -0.00045   0.00001   0.00701   0.00701  -0.37263
   D91       -0.38292  -0.00008   0.00000   0.00683   0.00683  -0.37609
   D92        1.68383   0.00011   0.00001   0.01007   0.01008   1.69391
   D93       -2.49164   0.00017   0.00001   0.01165   0.01165  -2.47999
   D94       -2.44817  -0.00011   0.00000   0.00587   0.00587  -2.44230
   D95       -0.38142   0.00008   0.00001   0.00911   0.00912  -0.37230
   D96        1.72630   0.00014   0.00001   0.01069   0.01069   1.73699
   D97       -1.17353   0.00028   0.00000  -0.00304  -0.00304  -1.17657
   D98        1.00501   0.00027   0.00000  -0.00689  -0.00689   0.99812
   D99        3.05518   0.00011   0.00000  -0.00542  -0.00542   3.04976
   D100       2.99523  -0.00021   0.00000  -0.00548  -0.00548   2.98975
   D101      -1.10941  -0.00022  -0.00001  -0.00933  -0.00934  -1.11874
   D102       0.94076  -0.00038   0.00000  -0.00786  -0.00787   0.93290
   D103       0.87465   0.00010   0.00000  -0.00435  -0.00435   0.87030
   D104       3.05320   0.00008  -0.00001  -0.00820  -0.00821   3.04499
   D105      -1.17982  -0.00007   0.00000  -0.00673  -0.00674  -1.18656
   D106      -1.03233   0.00026   0.00000  -0.00411  -0.00411  -1.03644
   D107      -3.12083   0.00036   0.00000  -0.00372  -0.00373  -3.12456
   D108       1.07658   0.00038   0.00000  -0.00342  -0.00343   1.07316
   D109       1.09962  -0.00022   0.00000  -0.00451  -0.00452   1.09510
   D110      -0.98889  -0.00012   0.00000  -0.00413  -0.00413  -0.99302
   D111      -3.07466  -0.00010   0.00000  -0.00383  -0.00383  -3.07849
   D112      -3.09132  -0.00027   0.00000  -0.00593  -0.00593  -3.09725
   D113       1.10336  -0.00017   0.00000  -0.00554  -0.00555   1.09782
   D114      -0.98241  -0.00015   0.00000  -0.00524  -0.00525  -0.98765
   D115       0.96018   0.00026  -0.00001  -0.00704  -0.00705   0.95313
   D116      -1.14906   0.00035  -0.00001  -0.00693  -0.00694  -1.15600
   D117       3.04508   0.00037  -0.00001  -0.00681  -0.00682   3.03826
   D118      -1.14651  -0.00040   0.00000  -0.00818  -0.00819  -1.15470
   D119       3.02743  -0.00031  -0.00001  -0.00807  -0.00808   3.01936
   D120       0.93839  -0.00029  -0.00001  -0.00796  -0.00796   0.93043
   D121       3.05690  -0.00017   0.00000  -0.00702  -0.00702   3.04987
   D122       0.94766  -0.00008   0.00000  -0.00691  -0.00691   0.94075
   D123      -1.14139  -0.00006   0.00000  -0.00679  -0.00679  -1.14818
   D124      -0.98887  -0.00015  -0.00001  -0.02186  -0.02187  -1.01074
   D125       1.16604   0.00001  -0.00001  -0.02236  -0.02237   1.14368
   D126      -3.09034  -0.00022  -0.00001  -0.02310  -0.02311  -3.11345
   D127       3.12760  -0.00029  -0.00001  -0.01969  -0.01970   3.10790
   D128      -1.00068  -0.00013  -0.00001  -0.02018  -0.02019  -1.02087
   D129       1.02612  -0.00036  -0.00001  -0.02093  -0.02093   1.00519
   D130       1.09701  -0.00007  -0.00001  -0.02073  -0.02074   1.07627
   D131      -3.03126   0.00010  -0.00001  -0.02122  -0.02123  -3.05249
   D132      -1.00446  -0.00014  -0.00001  -0.02196  -0.02197  -1.02644
   D133      -1.43302  -0.00019   0.00000  -0.00189  -0.00190  -1.43492
   D134       1.71436  -0.00021   0.00000  -0.00222  -0.00222   1.71215
   D135       2.70661   0.00000   0.00000  -0.00072  -0.00072   2.70589
   D136      -0.42919  -0.00001   0.00000  -0.00104  -0.00104  -0.43023
   D137       0.64824   0.00011   0.00000   0.00003   0.00003   0.64827
   D138      -2.48756   0.00009   0.00000  -0.00029  -0.00029  -2.48785
   D139       0.81962   0.00010   0.00000  -0.00921  -0.00922   0.81040
   D140       2.91181   0.00020   0.00000  -0.00782  -0.00783   2.90398
   D141      -1.30423  -0.00014   0.00000  -0.01059  -0.01060  -1.31482
   D142      -1.30286  -0.00001   0.00000  -0.00981  -0.00981  -1.31267
   D143       0.78933   0.00009   0.00000  -0.00842  -0.00842   0.78091
   D144       2.85648  -0.00024   0.00000  -0.01119  -0.01119   2.84529
   D145       2.93285  -0.00013   0.00000  -0.00889  -0.00889   2.92396
   D146      -1.25814  -0.00003   0.00000  -0.00750  -0.00750  -1.26565
   D147       0.80901  -0.00036   0.00000  -0.01027  -0.01027   0.79874
   D148      -0.83558  -0.00001   0.00000   0.00387   0.00387  -0.83171
   D149      -2.94629   0.00010   0.00000   0.00454   0.00454  -2.94175
   D150       1.29082  -0.00002   0.00000   0.00405   0.00404   1.29486
   D151      -2.92487  -0.00004   0.00000   0.00325   0.00325  -2.92162
   D152       1.24761   0.00007   0.00000   0.00392   0.00392   1.25153
   D153      -0.79847  -0.00005   0.00000   0.00342   0.00342  -0.79505
   D154       1.29129  -0.00020   0.00000   0.00549   0.00549   1.29678
   D155      -0.81941  -0.00010   0.00000   0.00616   0.00616  -0.81325
   D156      -2.86549  -0.00021   0.00000   0.00567   0.00566  -2.85983
   D157      -1.25337   0.00012   0.00000   0.00891   0.00890  -1.24447
   D158       1.90861   0.00010   0.00000   0.00810   0.00810   1.91671
   D159       2.88830   0.00015   0.00000   0.01038   0.01038   2.89867
   D160      -0.23291   0.00013   0.00000   0.00958   0.00958  -0.22334
   D161       0.82988   0.00006   0.00000   0.01059   0.01059   0.84048
   D162      -2.29132   0.00004   0.00000   0.00979   0.00979  -2.28153
   D163      -3.13576  -0.00002   0.00000  -0.00031  -0.00031  -3.13607
   D164       0.00576  -0.00002   0.00000  -0.00047  -0.00047   0.00528
   D165       0.00010   0.00000   0.00000   0.00000   0.00000   0.00011
   D166      -3.14156  -0.00001   0.00000  -0.00016  -0.00016   3.14147
   D167       3.13680   0.00002   0.00000   0.00029   0.00029   3.13710
   D168      -0.00106  -0.00001   0.00000  -0.00040  -0.00040  -0.00146
   D169       0.00095   0.00000   0.00000  -0.00002  -0.00002   0.00093
   D170      -3.13692  -0.00003   0.00000  -0.00071  -0.00071  -3.13763
   D171      -3.11945  -0.00006   0.00000  -0.00133  -0.00133  -3.12078
   D172       0.03113  -0.00008   0.00000  -0.00205  -0.00205   0.02907
   D173       0.00202  -0.00004   0.00000  -0.00054  -0.00054   0.00149
   D174      -3.13059  -0.00006   0.00000  -0.00126  -0.00126  -3.13185
   D175       3.11823   0.00005   0.00000   0.00129   0.00129   3.11952
   D176      -0.02145   0.00007   0.00000   0.00087   0.00087  -0.02058
   D177      -0.00321   0.00004   0.00000   0.00050   0.00050  -0.00271
   D178       3.14030   0.00005   0.00000   0.00008   0.00008   3.14038
   D179       2.76765  -0.00051   0.00002  -0.00568  -0.00566   2.76198
   D180       0.70674  -0.00031   0.00002  -0.00295  -0.00293   0.70381
   D181      -1.37503  -0.00010   0.00002  -0.00367  -0.00365  -1.37868
   D182      -0.42523  -0.00001  -0.00001  -0.00589  -0.00591  -0.43114
   D183      -2.48613   0.00019  -0.00001  -0.00316  -0.00317  -2.48930
   D184       1.71528   0.00040  -0.00001  -0.00389  -0.00389   1.71139
   D185      -0.00097   0.00000   0.00000   0.00001   0.00001  -0.00096
   D186       3.14013   0.00000   0.00000  -0.00002  -0.00002   3.14012
   D187       3.14069   0.00001   0.00000   0.00017   0.00017   3.14086
   D188      -0.00138   0.00001   0.00000   0.00014   0.00014  -0.00124
   D189      -0.00114   0.00000   0.00000   0.00003   0.00003  -0.00111
   D190       3.13971  -0.00002   0.00000  -0.00034  -0.00034   3.13938
   D191       3.13674   0.00003   0.00000   0.00072   0.00072   3.13746
   D192      -0.00560   0.00002   0.00000   0.00035   0.00035  -0.00525
   D193       0.00084   0.00002   0.00000   0.00011   0.00011   0.00095
   D194      -3.13922   0.00002   0.00000   0.00018   0.00018  -3.13905
   D195       3.13341   0.00004   0.00000   0.00084   0.00084   3.13426
   D196      -0.00665   0.00004   0.00000   0.00091   0.00091  -0.00574
   D197       0.00153   0.00000   0.00000  -0.00004  -0.00004   0.00149
   D198      -3.13964   0.00000   0.00000  -0.00019  -0.00020  -3.13983
   D199       3.14121  -0.00002   0.00000   0.00038   0.00038   3.14159
   D200       0.00004  -0.00002   0.00000   0.00023   0.00023   0.00027
   D201       0.00079   0.00000   0.00000   0.00000   0.00000   0.00079
   D202      -3.14154   0.00000   0.00000  -0.00003  -0.00003  -3.14157
   D203      -3.14032   0.00000   0.00000   0.00002   0.00002  -3.14029
   D204       0.00054   0.00000   0.00000  -0.00001  -0.00001   0.00053
   D205       0.00026   0.00000   0.00000  -0.00002  -0.00002   0.00025
   D206      -3.14059   0.00000   0.00000   0.00001   0.00001  -3.14058
   D207      -3.14059   0.00002   0.00000   0.00035   0.00035  -3.14023
   D208       0.00175   0.00001   0.00000   0.00038   0.00038   0.00213
   D209      -0.00254   0.00002   0.00000   0.00035   0.00035  -0.00219
   D210       3.13929   0.00001   0.00000   0.00020   0.00020   3.13950
   D211       3.13752   0.00002   0.00000   0.00029   0.00029   3.13781
   D212      -0.00383   0.00001   0.00000   0.00014   0.00014  -0.00369
   D213       0.00136  -0.00002   0.00000  -0.00039  -0.00039   0.00097
   D214      -3.14048  -0.00001   0.00000  -0.00024  -0.00024  -3.14072
   D215      -3.14066  -0.00002   0.00000  -0.00023  -0.00023  -3.14089
   D216       0.00069  -0.00001   0.00000  -0.00008  -0.00008   0.00061
   D217      -3.06383   0.00013   0.00000   0.00380   0.00381  -3.06002
   D218       0.06986   0.00011   0.00000   0.00396   0.00397   0.07382
   D219      -0.01327   0.00000   0.00000   0.00169   0.00169  -0.01158
   D220       3.12041  -0.00002   0.00000   0.00185   0.00185   3.12226
   D221       3.06484   0.00006   0.00000  -0.00261  -0.00261   3.06223
   D222      -0.07089   0.00006   0.00000  -0.00214  -0.00214  -0.07303
   D223       0.01895   0.00000   0.00000  -0.00091  -0.00091   0.01804
   D224      -3.11678   0.00000   0.00000  -0.00045  -0.00045  -3.11723
   D225      -0.00225   0.00001   0.00000  -0.00129  -0.00129  -0.00354
   D226      -3.14113  -0.00003   0.00000  -0.00143  -0.00143   3.14062
   D227      -3.13590   0.00002   0.00000  -0.00147  -0.00147  -3.13736
   D228       0.00841  -0.00002   0.00000  -0.00162  -0.00162   0.00679
   D229      -2.94250  -0.00005   0.00000  -0.00551  -0.00551  -2.94801
   D230       1.24021   0.00009   0.00000  -0.00419  -0.00418   1.23602
   D231      -0.83672  -0.00018   0.00000  -0.00605  -0.00605  -0.84277
   D232       0.19099  -0.00006   0.00000  -0.00534  -0.00534   0.18565
   D233      -1.90949   0.00008   0.00000  -0.00401  -0.00401  -1.91350
   D234       2.29677  -0.00020   0.00000  -0.00588  -0.00588   2.29089
   D235      -0.00930   0.00000   0.00000  -0.00026  -0.00026  -0.00957
   D236       3.13999  -0.00003   0.00000  -0.00045  -0.00045   3.13954
   D237       3.12652   0.00001   0.00000  -0.00072  -0.00072   3.12579
   D238      -0.00738  -0.00003   0.00000  -0.00091  -0.00091  -0.00829
   D239       2.79402   0.00005   0.00000   0.00473   0.00473   2.79874
   D240       0.69333   0.00002   0.00000   0.00456   0.00456   0.69789
   D241      -1.39607   0.00009   0.00000   0.00493   0.00493  -1.39114
   D242      -0.34161   0.00005   0.00000   0.00520   0.00520  -0.33642
   D243      -2.44230   0.00001   0.00000   0.00503   0.00503  -2.43727
   D244       1.75148   0.00008   0.00000   0.00540   0.00540   1.75688
   D245       0.01170  -0.00001   0.00000   0.00015   0.00015   0.01186
   D246      -3.13254  -0.00004   0.00000  -0.00058  -0.00058  -3.13312
   D247      -3.13262   0.00004   0.00000   0.00030   0.00030  -3.13232
   D248       0.00633   0.00000   0.00000  -0.00043  -0.00043   0.00589
   D249      -0.00579   0.00000   0.00000   0.00064   0.00064  -0.00515
   D250       3.13844   0.00004   0.00000   0.00138   0.00138   3.13983
   D251       3.12807   0.00004   0.00000   0.00083   0.00083   3.12890
   D252      -0.01088   0.00007   0.00000   0.00157   0.00157  -0.00931
         Item               Value     Threshold  Converged?
 Maximum Force            0.003995     0.000450     NO 
 RMS     Force            0.000578     0.000300     NO 
 Maximum Displacement     0.318865     0.001800     NO 
 RMS     Displacement     0.071503     0.001200     NO 
 Predicted change in Energy=-5.064677D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.092257   -0.094598   -1.327970
      2          8           0       -3.500678    0.235932   -2.395506
      3          8           0       -3.494594   -2.534310    1.562358
      4          8           0        2.393915    2.243874    2.041596
      5          8           0        3.683443   -1.013359    1.455351
      6          7           0       -3.140824   -2.559300   -0.729545
      7          7           0       -3.114349    0.461909   -0.144006
      8          7           0        2.179755    0.914171    0.178671
      9          7           0       -1.869118   -3.949936    0.785420
     10          6           0       -2.642909    1.827681   -0.218367
     11          6           0       -4.213389   -1.614341   -0.942873
     12          6           0       -1.304772    1.980509   -0.962456
     13          6           0       -0.209318    1.037957   -0.474100
     14          6           0       -5.203712   -1.987516   -2.068322
     15          6           0        1.186418    1.733588   -0.468782
     16          6           0       -2.541033    2.471792    1.177558
     17          6           0       -3.599494   -0.215784   -1.237432
     18          6           0       -2.392809   -3.048204   -1.863251
     19          6           0       -1.012823   -3.592969   -1.498217
     20          6           0        1.574842    2.092850   -1.916316
     21          6           0       -2.870278   -3.005979    0.575689
     22          6           0       -6.319119   -0.959725   -2.111047
     23          6           0       -5.796009   -3.363136   -1.849243
     24          6           0       -1.102182   -4.516774   -0.284581
     25          6           0       -3.859984    2.519281    1.863916
     26          6           0        2.876216    2.804353   -2.008769
     27          6           0        2.713091    1.216620    1.405983
     28          6           0       -4.766995    3.546874    1.578268
     29          6           0       -4.204571    1.542356    2.805661
     30          6           0        2.991740    4.127466   -1.563573
     31          6           0        3.994474    2.170112   -2.562350
     32          6           0        3.788177    0.307456    1.996832
     33          6           0       -6.000168    3.596162    2.225370
     34          6           0       -5.439467    1.593341    3.450703
     35          6           0       -6.338744    2.619537    3.162123
     36          6           0        4.204923    4.803840   -1.672475
     37          6           0        5.207179    2.849159   -2.671769
     38          6           0        5.314763    4.166593   -2.227961
     39          6           0        4.909751   -1.634511    1.229761
     40          6           0        5.207876   -1.993501   -0.101628
     41          6           0        5.757628   -1.990337    2.292096
     42          6           0        6.382975   -2.706467   -0.353007
     43          6           0        6.929932   -2.697870    2.000127
     44          6           0        4.289849   -1.630559   -1.204633
     45          6           0        5.431375   -1.641123    3.693095
     46          6           0        7.240737   -3.049605    0.690164
     47          1           0       -3.403955    2.420775   -0.818451
     48          1           0       -4.816810   -1.544731    0.016827
     49          1           0       -1.485453    1.783036   -2.055527
     50          1           0       -0.982267    3.047557   -0.849496
     51          1           0       -0.444777    0.685565    0.570099
     52          1           0       -4.653260   -1.961957   -3.050378
     53          1           0        1.077843    2.689842    0.128430
     54          1           0       -3.218885    0.059440    0.760340
     55          1           0       -1.799734    1.912048    1.808206
     56          1           0       -2.146233    3.514284    1.042493
     57          1           0       -2.981687   -3.868786   -2.369102
     58          1           0       -2.280750   -2.201484   -2.603367
     59          1           0       -0.609637   -4.168516   -2.369506
     60          1           0       -0.306787   -2.748207   -1.283894
     61          1           0        1.592320    1.156193   -2.535163
     62          1           0        0.763391    2.752218   -2.328376
     63          1           0       -6.861511   -0.922116   -1.135511
     64          1           0       -7.050164   -1.231050   -2.910670
     65          1           0       -5.909493    0.054896   -2.337207
     66          1           0       -6.263736   -3.432170   -0.837076
     67          1           0       -5.022546   -4.162565   -1.936551
     68          1           0       -6.584761   -3.559768   -2.616391
     69          1           0       -0.063192   -4.737679    0.094752
     70          1           0       -1.563898   -5.498308   -0.603809
     71          1           0        2.388377    0.036481   -0.240073
     72          1           0       -1.744735   -4.279294    1.711993
     73          1           0       -0.964183   -0.508123   -1.366626
     74          1           0       -4.502018    4.317716    0.839194
     75          1           0       -3.497945    0.731525    3.041292
     76          1           0        2.119562    4.629763   -1.118780
     77          1           0        3.914492    1.130380   -2.914049
     78          1           0        3.620038    0.239739    3.104346
     79          1           0        4.788039    0.767184    1.784825
     80          1           0       -6.706747    4.407494    1.996473
     81          1           0       -5.703037    0.820369    4.187896
     82          1           0       -7.312092    2.659229    3.672254
     83          1           0        4.286819    5.841886   -1.317970
     84          1           0        6.080188    2.343405   -3.109605
     85          1           0        6.271200    4.701783   -2.315307
     86          1           0        6.629962   -2.995084   -1.385723
     87          1           0        7.606782   -2.983098    2.819892
     88          1           0        4.568064   -2.155414   -2.150855
     89          1           0        4.325367   -0.525497   -1.387503
     90          1           0        3.237070   -1.904103   -0.939040
     91          1           0        5.999640   -2.284435    4.409312
     92          1           0        4.337184   -1.777207    3.885201
     93          1           0        5.694957   -0.571937    3.896526
     94          1           0        8.167066   -3.604246    0.478093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0836189      0.0392802      0.0341319
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3201.5744294100 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.243134950136     A.U. after   14 cycles
             Convg  =    0.4878D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.001293122    0.001104153   -0.000537318
      2        8           0.000279003   -0.000172504    0.000065867
      3        8          -0.000292721   -0.000396780    0.000058086
      4        8          -0.000537156    0.000568519   -0.000280057
      5        8           0.001565861    0.000892815   -0.000462060
      6        7           0.000302506    0.000525279    0.001337030
      7        7           0.000040176   -0.000413293    0.000717613
      8        7           0.001015993   -0.000798203   -0.000893408
      9        7          -0.000664083    0.000561469    0.000682353
     10        6          -0.000323729    0.000583580    0.000469566
     11        6          -0.000012646    0.000077100    0.000560008
     12        6           0.000926975    0.000166452    0.000164958
     13        6          -0.001222073   -0.001651639    0.000033175
     14        6          -0.000119279   -0.000542521   -0.000793961
     15        6          -0.001818356    0.001159521    0.001090757
     16        6          -0.000339179    0.000015095   -0.000292652
     17        6          -0.000001044    0.000025812   -0.000475547
     18        6           0.000129584   -0.000215403   -0.000616370
     19        6          -0.000361470    0.000559602   -0.000168858
     20        6          -0.000167486    0.000394932   -0.000223011
     21        6           0.000581935   -0.001186434   -0.000988105
     22        6          -0.000184585   -0.000086219    0.000089349
     23        6           0.000086858    0.000351633    0.000092991
     24        6           0.000036215   -0.000169021   -0.000023557
     25        6           0.000114581    0.000121831   -0.000185220
     26        6          -0.000083192   -0.000380711   -0.000310851
     27        6          -0.000694526   -0.000992300    0.000022996
     28        6           0.000023903   -0.000162228   -0.000001156
     29        6           0.000051095   -0.000130720    0.000053840
     30        6           0.000083425    0.000175616   -0.000039078
     31        6          -0.000094111    0.000077726    0.000070347
     32        6           0.000133235   -0.000534336    0.000663455
     33        6          -0.000101944    0.000038087   -0.000012021
     34        6          -0.000062874    0.000093376   -0.000019898
     35        6           0.000023822   -0.000026733    0.000012886
     36        6          -0.000012490   -0.000029128   -0.000061447
     37        6           0.000063754   -0.000072425   -0.000017095
     38        6          -0.000026019    0.000034884    0.000044206
     39        6          -0.001061551   -0.001327185    0.002131610
     40        6          -0.000130018    0.000996474   -0.001645517
     41        6           0.000044779    0.000071200    0.000065922
     42        6          -0.000352031   -0.000043302    0.000164533
     43        6           0.000231386    0.000383731   -0.000450256
     44        6          -0.000131407    0.000129778   -0.000206241
     45        6           0.000038786    0.000184324   -0.000229324
     46        6           0.000406955   -0.000312632    0.000243559
     47        1           0.000344563    0.000260628   -0.000045619
     48        1           0.000260908    0.000427321    0.000165073
     49        1          -0.000186099   -0.000068693   -0.000593054
     50        1           0.000592858   -0.000432443    0.000248660
     51        1           0.000542184    0.000211573   -0.000408296
     52        1           0.000087253    0.000175498    0.000155530
     53        1           0.000252063   -0.000302075    0.000067805
     54        1          -0.000303942    0.000930905   -0.000369124
     55        1           0.000071470   -0.000333828    0.000036178
     56        1          -0.000107577    0.000188337   -0.000041455
     57        1          -0.000217318    0.000051027    0.000069860
     58        1           0.000341578    0.000038918   -0.000281462
     59        1          -0.000059863   -0.000013774   -0.000138367
     60        1          -0.000630452   -0.000409319   -0.000203627
     61        1           0.000028543    0.000051051    0.000176468
     62        1           0.000226760    0.000278791    0.000284958
     63        1           0.000042246   -0.000085506    0.000088183
     64        1          -0.000004266   -0.000083748   -0.000036734
     65        1          -0.000019588    0.000122034    0.000051839
     66        1           0.000097832   -0.000095201    0.000034340
     67        1          -0.000073274   -0.000031080   -0.000045384
     68        1           0.000036331    0.000028627   -0.000058404
     69        1          -0.000231775    0.000087391   -0.000038636
     70        1          -0.000173294   -0.000081184   -0.000271805
     71        1           0.000052861    0.000162103    0.000237235
     72        1           0.000066147   -0.000293646   -0.000042350
     73        1          -0.000459321   -0.000471208    0.000906775
     74        1           0.000005485    0.000076242   -0.000030131
     75        1           0.000000781    0.000063896    0.000007279
     76        1          -0.000005081   -0.000115833    0.000069361
     77        1          -0.000064172   -0.000123359    0.000004703
     78        1           0.000155311    0.000432439   -0.000258726
     79        1           0.000279573    0.000124937   -0.000230031
     80        1           0.000062866    0.000004284    0.000015695
     81        1          -0.000005870   -0.000049459    0.000004268
     82        1           0.000020044   -0.000026346    0.000000550
     83        1           0.000044545    0.000019182    0.000041622
     84        1          -0.000046669    0.000019728   -0.000021120
     85        1           0.000007852    0.000033305   -0.000005698
     86        1           0.000150799   -0.000053497    0.000071331
     87        1          -0.000095586   -0.000023940   -0.000071303
     88        1          -0.000107903   -0.000009338    0.000028790
     89        1           0.000225928   -0.000070611    0.000089630
     90        1           0.000308405   -0.000160558    0.000124379
     91        1          -0.000112600   -0.000077310    0.000004637
     92        1           0.000052862   -0.000119363    0.000027926
     93        1          -0.000022419    0.000078391    0.000157780
     94        1          -0.000110959    0.000015442    0.000118368
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002131610 RMS     0.000436068

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003490523 RMS     0.000406213
 Search for a local minimum.
 Step number  13 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    8   10    9   11   12
                                                     13
 DE= -4.67D-04 DEPred=-5.06D-04 R= 9.21D-01
 SS=  1.41D+00  RLast= 1.78D-01 DXNew= 3.0000D-01 5.3522D-01
 Trust test= 9.21D-01 RLast= 1.78D-01 DXMaxT set to 3.00D-01
     Eigenvalues ---    0.00158   0.00182   0.00230   0.00231   0.00235
     Eigenvalues ---    0.00236   0.00243   0.00283   0.00344   0.00373
     Eigenvalues ---    0.00427   0.00436   0.00477   0.00484   0.00543
     Eigenvalues ---    0.00603   0.00662   0.00752   0.00900   0.01032
     Eigenvalues ---    0.01223   0.01313   0.01360   0.01387   0.01396
     Eigenvalues ---    0.01434   0.01438   0.01440   0.01512   0.01530
     Eigenvalues ---    0.01816   0.01954   0.02017   0.02076   0.02083
     Eigenvalues ---    0.02101   0.02118   0.02125   0.02145   0.02148
     Eigenvalues ---    0.02152   0.02153   0.02160   0.02165   0.02169
     Eigenvalues ---    0.02172   0.02174   0.02176   0.02176   0.02179
     Eigenvalues ---    0.02180   0.02182   0.02183   0.02187   0.02188
     Eigenvalues ---    0.02188   0.02324   0.02526   0.03104   0.03406
     Eigenvalues ---    0.03452   0.03674   0.03761   0.03855   0.03944
     Eigenvalues ---    0.04066   0.04228   0.04348   0.04409   0.04578
     Eigenvalues ---    0.04770   0.04854   0.04946   0.04997   0.05071
     Eigenvalues ---    0.05145   0.05371   0.05381   0.05401   0.05453
     Eigenvalues ---    0.05534   0.05578   0.05598   0.05618   0.05676
     Eigenvalues ---    0.05703   0.05931   0.06006   0.06799   0.07030
     Eigenvalues ---    0.07093   0.07119   0.07230   0.07372   0.07549
     Eigenvalues ---    0.07688   0.07977   0.08226   0.08484   0.09107
     Eigenvalues ---    0.09306   0.09416   0.09505   0.10955   0.11494
     Eigenvalues ---    0.12220   0.12375   0.12684   0.12881   0.14004
     Eigenvalues ---    0.15783   0.15859   0.15906   0.15955   0.15982
     Eigenvalues ---    0.15995   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16004   0.16005
     Eigenvalues ---    0.16007   0.16024   0.16077   0.16168   0.16292
     Eigenvalues ---    0.16610   0.16860   0.17074   0.17597   0.18638
     Eigenvalues ---    0.19013   0.19659   0.19985   0.20319   0.21401
     Eigenvalues ---    0.21775   0.21872   0.21995   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22006   0.22094   0.22389   0.23103
     Eigenvalues ---    0.23394   0.23422   0.23481   0.23506   0.23919
     Eigenvalues ---    0.24616   0.24647   0.24825   0.24974   0.24994
     Eigenvalues ---    0.24998   0.25016   0.25035   0.25133   0.25221
     Eigenvalues ---    0.26144   0.26690   0.26823   0.27124   0.27294
     Eigenvalues ---    0.27533   0.27847   0.28325   0.28528   0.28596
     Eigenvalues ---    0.29013   0.29813   0.30085   0.30292   0.30618
     Eigenvalues ---    0.31656   0.32409   0.33034   0.33267   0.34276
     Eigenvalues ---    0.34435   0.34451   0.34500   0.34599   0.34625
     Eigenvalues ---    0.34653   0.34677   0.34695   0.34701   0.34723
     Eigenvalues ---    0.34733   0.34735   0.34744   0.34748   0.34751
     Eigenvalues ---    0.34762   0.34771   0.34780   0.34790   0.34799
     Eigenvalues ---    0.34808   0.34815   0.34826   0.34831   0.34839
     Eigenvalues ---    0.34846   0.34871   0.34910   0.34991   0.35543
     Eigenvalues ---    0.35746   0.35852   0.35892   0.35914   0.35932
     Eigenvalues ---    0.35953   0.35968   0.35987   0.35996   0.36002
     Eigenvalues ---    0.36006   0.36030   0.36034   0.36061   0.37247
     Eigenvalues ---    0.37904   0.39292   0.40821   0.41978   0.42193
     Eigenvalues ---    0.42252   0.42329   0.42396   0.42466   0.44563
     Eigenvalues ---    0.45647   0.45787   0.45979   0.46068   0.46092
     Eigenvalues ---    0.46136   0.46196   0.46340   0.46420   0.46760
     Eigenvalues ---    0.46764   0.46905   0.47012   0.47214   0.47394
     Eigenvalues ---    0.48695   0.51088   0.52876   0.53990   0.55502
     Eigenvalues ---    0.57983   0.59908   0.90028   0.90443   0.92269
     Eigenvalues ---    0.969531000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    13   12
 RFO step:  Lambda=-2.31578183D-04.
 DIIS coeffs:      2.36439     -1.36439
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.305
 Iteration  1 RMS(Cart)=  0.06739796 RMS(Int)=  0.00085963
 Iteration  2 RMS(Cart)=  0.00161166 RMS(Int)=  0.00002018
 Iteration  3 RMS(Cart)=  0.00000122 RMS(Int)=  0.00002018
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00002018
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68944   0.00066   0.00005   0.00058   0.00063   2.69008
    R2        1.82508   0.00021   0.00029   0.00051   0.00080   1.82588
    R3        2.35644   0.00003  -0.00010  -0.00004  -0.00015   2.35630
    R4        2.37967  -0.00017  -0.00012  -0.00031  -0.00043   2.37924
    R5        2.36112   0.00055   0.00022   0.00023   0.00044   2.36156
    R6        2.70483   0.00068   0.00001   0.00115   0.00116   2.70599
    R7        2.63246  -0.00027  -0.00015  -0.00012  -0.00028   2.63218
    R8        2.73120  -0.00114  -0.00054  -0.00044  -0.00098   2.73021
    R9        2.72792  -0.00114   0.00003  -0.00045  -0.00042   2.72750
   R10        2.65663  -0.00069   0.00010  -0.00097  -0.00087   2.65576
   R11        2.73398  -0.00082  -0.00056   0.00066   0.00009   2.73408
   R12        2.59809  -0.00062  -0.00023  -0.00034  -0.00057   2.59752
   R13        1.88097   0.00073   0.00052   0.00143   0.00195   1.88291
   R14        2.72367   0.00134   0.00051   0.00251   0.00302   2.72669
   R15        2.59259   0.00004  -0.00011  -0.00031  -0.00042   2.59217
   R16        1.87950   0.00023  -0.00014   0.00016   0.00002   1.87952
   R17        2.63029  -0.00083  -0.00022  -0.00143  -0.00166   2.62864
   R18        2.70858  -0.00037   0.00049  -0.00035   0.00014   2.70872
   R19        1.87310  -0.00011   0.00010   0.00010   0.00019   1.87329
   R20        2.90774   0.00090  -0.00048   0.00330   0.00282   2.91056
   R21        2.91157   0.00039  -0.00004   0.00082   0.00078   2.91234
   R22        2.14719  -0.00037  -0.00037  -0.00132  -0.00169   2.14550
   R23        2.91939  -0.00036  -0.00061  -0.00107  -0.00168   2.91771
   R24        2.93948  -0.00105  -0.00071  -0.00063  -0.00134   2.93813
   R25        2.14630   0.00020   0.00023  -0.00003   0.00020   2.14651
   R26        2.88263  -0.00016  -0.00024   0.00045   0.00021   2.88284
   R27        2.12663  -0.00045  -0.00025  -0.00103  -0.00128   2.12535
   R28        2.11730  -0.00013  -0.00030  -0.00082  -0.00112   2.11618
   R29        2.94701  -0.00098  -0.00199  -0.00231  -0.00430   2.94271
   R30        2.12959   0.00056  -0.00004   0.00048   0.00044   2.13004
   R31        2.86735   0.00009   0.00021   0.00049   0.00070   2.86805
   R32        2.86039   0.00026   0.00029   0.00077   0.00106   2.86145
   R33        2.12801  -0.00005  -0.00007  -0.00051  -0.00058   2.12742
   R34        2.91245  -0.00027  -0.00085  -0.00026  -0.00111   2.91133
   R35        2.14038  -0.00015  -0.00010  -0.00070  -0.00080   2.13958
   R36        2.81117  -0.00003   0.00006   0.00032   0.00038   2.81155
   R37        2.12168   0.00003   0.00001  -0.00027  -0.00027   2.12141
   R38        2.12197  -0.00008  -0.00010  -0.00049  -0.00059   2.12138
   R39        2.88725  -0.00105  -0.00013  -0.00110  -0.00123   2.88602
   R40        2.13465   0.00010   0.00008  -0.00024  -0.00017   2.13449
   R41        2.13569  -0.00025  -0.00021  -0.00062  -0.00084   2.13486
   R42        2.88721  -0.00014   0.00009  -0.00055  -0.00047   2.88674
   R43        2.11528  -0.00013   0.00001  -0.00039  -0.00039   2.11489
   R44        2.11957   0.00041  -0.00001   0.00011   0.00011   2.11967
   R45        2.80823   0.00036   0.00031   0.00108   0.00139   2.80962
   R46        2.12172   0.00018   0.00003  -0.00002   0.00001   2.12173
   R47        2.12375  -0.00021  -0.00028  -0.00080  -0.00108   2.12267
   R48        2.11047  -0.00012  -0.00014  -0.00053  -0.00066   2.10981
   R49        2.11061  -0.00004  -0.00010  -0.00038  -0.00048   2.11014
   R50        2.11142  -0.00011  -0.00013  -0.00051  -0.00064   2.11079
   R51        2.11110  -0.00009  -0.00008  -0.00045  -0.00053   2.11057
   R52        2.10851  -0.00008  -0.00012  -0.00048  -0.00060   2.10791
   R53        2.11219  -0.00006  -0.00005  -0.00037  -0.00042   2.11177
   R54        2.13145  -0.00022   0.00004  -0.00051  -0.00047   2.13098
   R55        2.13672  -0.00030  -0.00022  -0.00088  -0.00110   2.13562
   R56        2.64576   0.00001  -0.00003   0.00000  -0.00003   2.64573
   R57        2.64562  -0.00003  -0.00007  -0.00006  -0.00014   2.64549
   R58        2.64708  -0.00006   0.00002  -0.00010  -0.00008   2.64700
   R59        2.64509  -0.00002   0.00001  -0.00007  -0.00007   2.64502
   R60        2.88546   0.00145   0.00013   0.00252   0.00265   2.88811
   R61        2.63336   0.00002   0.00003   0.00000   0.00003   2.63339
   R62        2.07925  -0.00007  -0.00009  -0.00033  -0.00042   2.07883
   R63        2.63456   0.00004   0.00004   0.00006   0.00010   2.63465
   R64        2.08066   0.00000  -0.00005  -0.00016  -0.00020   2.08046
   R65        2.63287  -0.00001   0.00003  -0.00005  -0.00002   2.63285
   R66        2.07942  -0.00009  -0.00010  -0.00035  -0.00045   2.07897
   R67        2.63461   0.00002   0.00004   0.00001   0.00004   2.63466
   R68        2.07967  -0.00007  -0.00009  -0.00034  -0.00043   2.07924
   R69        2.12074   0.00051  -0.00022   0.00027   0.00005   2.12080
   R70        2.11786   0.00004   0.00029  -0.00008   0.00021   2.11807
   R71        2.63611  -0.00003   0.00003  -0.00001   0.00002   2.63613
   R72        2.07862  -0.00006  -0.00007  -0.00031  -0.00038   2.07824
   R73        2.63551  -0.00003   0.00004  -0.00002   0.00002   2.63553
   R74        2.07905  -0.00005  -0.00004  -0.00027  -0.00032   2.07873
   R75        2.07803  -0.00003  -0.00003  -0.00027  -0.00030   2.07772
   R76        2.63642  -0.00005   0.00005  -0.00002   0.00003   2.63645
   R77        2.07863  -0.00006  -0.00006  -0.00029  -0.00035   2.07828
   R78        2.63491  -0.00006   0.00004  -0.00005   0.00000   2.63491
   R79        2.07838  -0.00005  -0.00005  -0.00028  -0.00033   2.07806
   R80        2.07769  -0.00002  -0.00002  -0.00024  -0.00026   2.07743
   R81        2.66602  -0.00154  -0.00034  -0.00181  -0.00215   2.66386
   R82        2.65509   0.00022  -0.00032   0.00026  -0.00006   2.65503
   R83        2.64046   0.00022  -0.00022   0.00011  -0.00011   2.64036
   R84        2.79726  -0.00021   0.00058   0.00011   0.00069   2.79795
   R85        2.64571   0.00000   0.00002   0.00008   0.00010   2.64582
   R86        2.79730   0.00007   0.00037   0.00072   0.00109   2.79839
   R87        2.63324   0.00024   0.00025   0.00038   0.00063   2.63387
   R88        2.07939   0.00009   0.00000  -0.00004  -0.00004   2.07935
   R89        2.62959   0.00043  -0.00028   0.00030   0.00002   2.62961
   R90        2.07998  -0.00004  -0.00002  -0.00026  -0.00028   2.07970
   R91        2.11127   0.00001  -0.00010  -0.00032  -0.00042   2.11085
   R92        2.11773  -0.00015  -0.00006  -0.00055  -0.00061   2.11712
   R93        2.11591  -0.00026  -0.00006  -0.00068  -0.00074   2.11517
   R94        2.11256  -0.00013  -0.00009  -0.00051  -0.00060   2.11196
   R95        2.11504  -0.00012  -0.00010  -0.00050  -0.00059   2.11445
   R96        2.11617  -0.00015  -0.00013  -0.00056  -0.00069   2.11548
   R97        2.07929  -0.00007   0.00000  -0.00027  -0.00027   2.07902
    A1        1.86553   0.00116  -0.00049   0.00267   0.00218   1.86771
    A2        1.99141   0.00006  -0.00078   0.00041  -0.00038   1.99103
    A3        2.08296  -0.00056  -0.00069   0.00056  -0.00033   2.08262
    A4        2.08013  -0.00006   0.00040  -0.00188  -0.00168   2.07845
    A5        2.11979   0.00064   0.00048   0.00204   0.00226   2.12206
    A6        2.14056  -0.00065   0.00001  -0.00004  -0.00005   2.14052
    A7        2.05176   0.00050  -0.00023  -0.00009  -0.00034   2.05142
    A8        2.07855   0.00022  -0.00029  -0.00088  -0.00119   2.07736
    A9        2.14652  -0.00004   0.00071  -0.00011   0.00052   2.14705
   A10        2.04557  -0.00007  -0.00061  -0.00117  -0.00186   2.04371
   A11        2.08247   0.00006  -0.00059  -0.00086  -0.00153   2.08095
   A12        2.14193  -0.00012   0.00029  -0.00009   0.00013   2.14206
   A13        2.04481   0.00019   0.00026   0.00110   0.00134   2.04615
   A14        2.09358  -0.00004  -0.00034  -0.00019  -0.00054   2.09303
   A15        1.98450  -0.00142  -0.00230   0.00008  -0.00223   1.98227
   A16        1.94941   0.00093  -0.00002   0.00127   0.00124   1.95065
   A17        1.87721   0.00004   0.00037  -0.00178  -0.00140   1.87581
   A18        1.91676   0.00030  -0.00104  -0.00077  -0.00182   1.91494
   A19        1.84964   0.00048   0.00202   0.00137   0.00339   1.85303
   A20        1.88028  -0.00032   0.00134  -0.00021   0.00113   1.88141
   A21        2.01011   0.00152  -0.00075   0.00144   0.00069   2.01080
   A22        1.89961  -0.00349  -0.00152  -0.00451  -0.00603   1.89358
   A23        1.88559   0.00044   0.00169   0.00010   0.00178   1.88737
   A24        1.90946   0.00171   0.00151   0.00350   0.00501   1.91447
   A25        1.86481  -0.00081   0.00022   0.00021   0.00042   1.86524
   A26        1.89081   0.00068  -0.00117  -0.00080  -0.00197   1.88885
   A27        1.99143   0.00030  -0.00291   0.00130  -0.00161   1.98982
   A28        1.88878  -0.00032  -0.00044  -0.00016  -0.00060   1.88817
   A29        1.87146   0.00057   0.00232   0.00299   0.00531   1.87677
   A30        1.89424   0.00020   0.00076   0.00159   0.00234   1.89658
   A31        1.92781  -0.00066   0.00074  -0.00312  -0.00238   1.92543
   A32        1.88731  -0.00011  -0.00040  -0.00281  -0.00321   1.88410
   A33        1.93768   0.00096  -0.00016   0.00122   0.00106   1.93873
   A34        1.85813  -0.00001   0.00019   0.00016   0.00035   1.85848
   A35        1.90103  -0.00039  -0.00071  -0.00071  -0.00142   1.89961
   A36        1.94786  -0.00107   0.00186  -0.00030   0.00156   1.94942
   A37        1.91751   0.00018  -0.00152  -0.00003  -0.00156   1.91596
   A38        1.90004   0.00031   0.00036  -0.00037  -0.00001   1.90003
   A39        1.90511   0.00027   0.00081   0.00108   0.00190   1.90701
   A40        1.94435  -0.00032  -0.00027  -0.00072  -0.00099   1.94336
   A41        1.89282   0.00008   0.00026   0.00075   0.00100   1.89383
   A42        1.90924   0.00006  -0.00055  -0.00010  -0.00065   1.90859
   A43        1.89590  -0.00012  -0.00002  -0.00064  -0.00066   1.89523
   A44        1.91572   0.00003  -0.00021  -0.00037  -0.00058   1.91514
   A45        1.94417   0.00046  -0.00012   0.00240   0.00228   1.94645
   A46        1.96140   0.00028  -0.00133   0.00025  -0.00107   1.96032
   A47        1.88514  -0.00027   0.00084  -0.00130  -0.00046   1.88468
   A48        1.90322  -0.00055   0.00024   0.00035   0.00059   1.90382
   A49        1.86774   0.00004   0.00008  -0.00063  -0.00055   1.86719
   A50        1.89926   0.00002   0.00038  -0.00123  -0.00085   1.89840
   A51        1.95276   0.00034   0.00007   0.00116   0.00122   1.95398
   A52        1.92213  -0.00029  -0.00082  -0.00160  -0.00242   1.91971
   A53        1.87800   0.00006   0.00070   0.00094   0.00164   1.87964
   A54        1.92001   0.00007   0.00072   0.00105   0.00177   1.92178
   A55        1.91515  -0.00020  -0.00018  -0.00075  -0.00094   1.91421
   A56        1.87368   0.00001  -0.00052  -0.00089  -0.00141   1.87227
   A57        2.13185   0.00054   0.00024   0.00088   0.00110   2.13296
   A58        2.13275   0.00046   0.00075   0.00092   0.00165   2.13439
   A59        2.01734  -0.00106  -0.00116  -0.00210  -0.00328   2.01405
   A60        1.98356  -0.00038   0.00096   0.00083   0.00175   1.98531
   A61        1.90455  -0.00003  -0.00035  -0.00047  -0.00081   1.90373
   A62        1.88804   0.00022  -0.00017   0.00000  -0.00016   1.88788
   A63        1.89529   0.00054   0.00008   0.00139   0.00148   1.89678
   A64        1.91138  -0.00036  -0.00041  -0.00193  -0.00233   1.90905
   A65        1.87829   0.00002  -0.00017   0.00015  -0.00002   1.87827
   A66        1.93109   0.00006   0.00069   0.00184   0.00250   1.93358
   A67        1.89937  -0.00005  -0.00027  -0.00039  -0.00065   1.89872
   A68        1.92374  -0.00040   0.00017  -0.00108  -0.00090   1.92284
   A69        1.90549   0.00003   0.00026   0.00028   0.00055   1.90603
   A70        1.91816   0.00034   0.00000   0.00046   0.00047   1.91863
   A71        1.88521   0.00001  -0.00090  -0.00117  -0.00208   1.88313
   A72        1.97224   0.00002  -0.00073  -0.00043  -0.00116   1.97108
   A73        1.90407   0.00007  -0.00030   0.00106   0.00076   1.90483
   A74        1.87461  -0.00022   0.00072  -0.00060   0.00013   1.87474
   A75        1.92997   0.00009   0.00041   0.00132   0.00173   1.93170
   A76        1.90560   0.00012   0.00038   0.00012   0.00050   1.90610
   A77        1.87403  -0.00010  -0.00046  -0.00162  -0.00208   1.87195
   A78        2.10952  -0.00035   0.00007  -0.00090  -0.00081   2.10870
   A79        2.08582   0.00057   0.00018   0.00148   0.00168   2.08750
   A80        2.08725  -0.00023  -0.00022  -0.00047  -0.00074   2.08652
   A81        1.93395  -0.00006  -0.00016  -0.00018  -0.00034   1.93362
   A82        1.91427   0.00001  -0.00019   0.00013  -0.00006   1.91422
   A83        1.92976   0.00010   0.00048   0.00035   0.00083   1.93059
   A84        1.89196   0.00003   0.00005   0.00020   0.00025   1.89221
   A85        1.90105  -0.00001   0.00006  -0.00006   0.00000   1.90105
   A86        1.89194  -0.00007  -0.00024  -0.00046  -0.00071   1.89123
   A87        1.92957   0.00002   0.00004   0.00005   0.00009   1.92966
   A88        1.94826  -0.00009   0.00011  -0.00012  -0.00001   1.94825
   A89        1.91418   0.00007   0.00006   0.00048   0.00053   1.91471
   A90        1.89321  -0.00001  -0.00012  -0.00041  -0.00053   1.89268
   A91        1.89181   0.00000   0.00003   0.00011   0.00013   1.89194
   A92        1.88539   0.00002  -0.00013  -0.00011  -0.00024   1.88515
   A93        1.96619  -0.00008   0.00014  -0.00070  -0.00057   1.96561
   A94        1.89577  -0.00017  -0.00009  -0.00052  -0.00060   1.89517
   A95        1.91300   0.00010  -0.00026  -0.00028  -0.00054   1.91246
   A96        1.90890   0.00011  -0.00038  -0.00048  -0.00085   1.90805
   A97        1.90127  -0.00002   0.00044   0.00128   0.00172   1.90300
   A98        1.87663   0.00006   0.00014   0.00076   0.00089   1.87752
   A99        2.09865  -0.00010  -0.00015  -0.00029  -0.00045   2.09820
   A100       2.10170   0.00006   0.00004   0.00012   0.00016   2.10186
   A101       2.08282   0.00004   0.00011   0.00018   0.00029   2.08311
   A102       2.09982  -0.00004  -0.00003  -0.00020  -0.00023   2.09959
   A103       2.10283   0.00004  -0.00002   0.00016   0.00013   2.10296
   A104       2.08037   0.00000   0.00006   0.00005   0.00011   2.08048
   A105       2.13771  -0.00046   0.00035  -0.00055  -0.00028   2.13742
   A106       2.06297   0.00016  -0.00006   0.00050   0.00036   2.06334
   A107       2.08129   0.00033  -0.00030   0.00111   0.00074   2.08204
   A108       2.09961  -0.00001  -0.00002  -0.00003  -0.00005   2.09956
   A109       2.08889   0.00004   0.00006   0.00017   0.00023   2.08912
   A110       2.09469  -0.00003  -0.00004  -0.00014  -0.00018   2.09451
   A111       2.09871  -0.00005  -0.00007  -0.00016  -0.00023   2.09847
   A112       2.09425   0.00009   0.00015   0.00035   0.00050   2.09475
   A113       2.09023  -0.00004  -0.00008  -0.00019  -0.00027   2.08996
   A114       2.10078   0.00001  -0.00001   0.00003   0.00002   2.10080
   A115       2.08779   0.00003   0.00007   0.00013   0.00020   2.08799
   A116       2.09459  -0.00004  -0.00005  -0.00016  -0.00021   2.09437
   A117       2.10049   0.00000  -0.00003  -0.00001  -0.00005   2.10044
   A118       2.09027   0.00007   0.00016   0.00032   0.00048   2.09075
   A119       2.09243  -0.00006  -0.00012  -0.00031  -0.00043   2.09199
   A120       1.93001   0.00101   0.00132   0.00382   0.00514   1.93515
   A121       1.88251  -0.00050  -0.00103  -0.00296  -0.00398   1.87853
   A122       1.95223  -0.00022  -0.00032   0.00025  -0.00008   1.95215
   A123       1.88842  -0.00023  -0.00108  -0.00190  -0.00298   1.88545
   A124       1.88674   0.00000   0.00061   0.00105   0.00166   1.88839
   A125       1.92315  -0.00006   0.00047  -0.00033   0.00014   1.92328
   A126       2.09654  -0.00002  -0.00006  -0.00012  -0.00018   2.09636
   A127       2.09199   0.00001   0.00004   0.00007   0.00011   2.09210
   A128       2.09466   0.00001   0.00002   0.00004   0.00007   2.09473
   A129       2.09708   0.00001   0.00000   0.00001   0.00000   2.09708
   A130       2.09040  -0.00003  -0.00005  -0.00011  -0.00016   2.09023
   A131       2.09571   0.00001   0.00005   0.00011   0.00016   2.09587
   A132       2.09162   0.00003   0.00004   0.00013   0.00017   2.09179
   A133       2.09565  -0.00001  -0.00002  -0.00006  -0.00008   2.09557
   A134       2.09592  -0.00002  -0.00002  -0.00007  -0.00009   2.09582
   A135       2.09679  -0.00001  -0.00005  -0.00009  -0.00014   2.09665
   A136       2.09183   0.00002   0.00006   0.00011   0.00016   2.09199
   A137       2.09457  -0.00001  -0.00001  -0.00002  -0.00003   2.09454
   A138       2.09709  -0.00001  -0.00002  -0.00007  -0.00009   2.09700
   A139       2.09176   0.00001   0.00001   0.00005   0.00006   2.09182
   A140       2.09434   0.00000   0.00001   0.00002   0.00003   2.09437
   A141       2.09085   0.00002   0.00005   0.00010   0.00015   2.09100
   A142       2.09591  -0.00001  -0.00004  -0.00007  -0.00010   2.09581
   A143       2.09643  -0.00001  -0.00002  -0.00003  -0.00005   2.09638
   A144       2.04015   0.00087   0.00218   0.00376   0.00594   2.04609
   A145       2.11966  -0.00093  -0.00186  -0.00326  -0.00511   2.11455
   A146       2.11950   0.00006  -0.00039  -0.00059  -0.00097   2.11853
   A147       2.06842   0.00018  -0.00008   0.00026   0.00019   2.06860
   A148       2.10571   0.00017   0.00100   0.00137   0.00237   2.10807
   A149       2.10904  -0.00035  -0.00093  -0.00162  -0.00255   2.10648
   A150       2.06645   0.00026   0.00069   0.00106   0.00175   2.06820
   A151       2.12100  -0.00027  -0.00037  -0.00062  -0.00099   2.12001
   A152       2.09572   0.00001  -0.00032  -0.00044  -0.00077   2.09495
   A153       2.10442   0.00008   0.00045   0.00054   0.00099   2.10541
   A154       2.08455   0.00011   0.00001   0.00040   0.00041   2.08497
   A155       2.09421  -0.00019  -0.00046  -0.00095  -0.00141   2.09281
   A156       2.10724  -0.00032  -0.00032  -0.00069  -0.00101   2.10623
   A157       2.08351   0.00008   0.00006   0.00002   0.00008   2.08359
   A158       2.09241   0.00025   0.00026   0.00067   0.00093   2.09334
   A159       1.94064   0.00014   0.00009   0.00042   0.00051   1.94114
   A160       1.92167  -0.00010  -0.00010  -0.00035  -0.00045   1.92122
   A161       1.92460  -0.00011   0.00027  -0.00003   0.00023   1.92484
   A162       1.89352  -0.00008  -0.00043  -0.00074  -0.00117   1.89235
   A163       1.89681  -0.00009  -0.00037  -0.00071  -0.00107   1.89573
   A164       1.88537   0.00024   0.00054   0.00142   0.00197   1.88734
   A165       1.93753   0.00004   0.00015   0.00036   0.00051   1.93804
   A166       1.92755  -0.00007  -0.00008  -0.00022  -0.00030   1.92726
   A167       1.92336  -0.00006  -0.00011  -0.00024  -0.00034   1.92301
   A168       1.89338   0.00005   0.00002   0.00013   0.00015   1.89353
   A169       1.88956   0.00003   0.00005   0.00012   0.00016   1.88973
   A170       1.89127   0.00001  -0.00003  -0.00015  -0.00018   1.89109
   A171       2.10019  -0.00026  -0.00035  -0.00059  -0.00094   2.09925
   A172       2.09217  -0.00002   0.00002  -0.00030  -0.00027   2.09190
   A173       2.09082   0.00027   0.00033   0.00088   0.00121   2.09203
    D1       -0.97561   0.00008   0.01172   0.03306   0.04478  -0.93083
    D2       -3.09897   0.00083   0.00942   0.03261   0.04203  -3.05693
    D3        1.13801   0.00066   0.00925   0.03333   0.04258   1.18059
    D4        2.48927   0.00001  -0.00589  -0.01717  -0.02305   2.46622
    D5       -1.73214   0.00001  -0.00706  -0.01907  -0.02614  -1.75828
    D6        0.38538  -0.00054  -0.00736  -0.02130  -0.02866   0.35672
    D7       -2.07270   0.00012   0.00252   0.01000   0.01252  -2.06018
    D8        1.16206   0.00013   0.00331   0.01096   0.01428   1.17634
    D9        0.83379   0.00032  -0.00875  -0.02664  -0.03540   0.79839
   D10       -1.31722  -0.00028  -0.00900  -0.02873  -0.03776  -1.35498
   D11        2.91642   0.00058  -0.00773  -0.02539  -0.03313   2.88329
   D12       -2.28172  -0.00051  -0.01512  -0.05771  -0.07280  -2.35452
   D13        1.85046  -0.00110  -0.01537  -0.05981  -0.07516   1.77530
   D14       -0.19909  -0.00025  -0.01410  -0.05646  -0.07053  -0.26962
   D15        2.76351  -0.00089   0.00016  -0.00956  -0.00943   2.75408
   D16       -1.40176  -0.00048   0.00066  -0.00757  -0.00694  -1.40870
   D17        0.63694  -0.00035   0.00017  -0.00765  -0.00749   0.62944
   D18       -0.40478  -0.00006   0.00667   0.02218   0.02888  -0.37590
   D19        1.71313   0.00036   0.00717   0.02418   0.03137   1.74450
   D20       -2.53135   0.00048   0.00669   0.02410   0.03081  -2.50054
   D21       -0.07465   0.00046   0.00029   0.01010   0.01038  -0.06427
   D22        3.10399   0.00064  -0.00056   0.00666   0.00610   3.11009
   D23        3.09359  -0.00037  -0.00619  -0.02163  -0.02785   3.06574
   D24       -0.01095  -0.00019  -0.00704  -0.02507  -0.03213  -0.04309
   D25       -1.24658   0.00045   0.00143   0.01306   0.01448  -1.23209
   D26        2.85538   0.00041   0.00469   0.01300   0.01769   2.87306
   D27        0.79569   0.00025   0.00284   0.01363   0.01647   0.81216
   D28        2.06476  -0.00005   0.00503   0.01999   0.02502   2.08979
   D29       -0.11647  -0.00009   0.00829   0.01993   0.02822  -0.08824
   D30       -2.17616  -0.00025   0.00645   0.02056   0.02701  -2.14915
   D31        0.17090  -0.00079   0.00135   0.00008   0.00142   0.17232
   D32       -3.02327  -0.00196  -0.00246  -0.00629  -0.00875  -3.03203
   D33        3.14025  -0.00025  -0.00230  -0.00688  -0.00919   3.13107
   D34       -0.05392  -0.00143  -0.00612  -0.01325  -0.01936  -0.07328
   D35       -1.89761   0.00023   0.01050   0.02878   0.03927  -1.85834
   D36        2.24394   0.00041   0.01124   0.02635   0.03759   2.28153
   D37        0.14872   0.00039   0.01103   0.02859   0.03961   0.18834
   D38        1.10210  -0.00012   0.00626   0.01111   0.01737   1.11947
   D39       -1.03954   0.00005   0.00701   0.00868   0.01569  -1.02385
   D40       -3.13476   0.00003   0.00680   0.01092   0.01772  -3.11704
   D41       -0.02598  -0.00001  -0.00201   0.00041  -0.00161  -0.02759
   D42       -3.11374  -0.00053  -0.00189  -0.02306  -0.02495  -3.13868
   D43       -3.02282   0.00036   0.00231   0.01845   0.02076  -3.00206
   D44        0.17261  -0.00015   0.00242  -0.00501  -0.00258   0.17002
   D45       -3.12490   0.00051   0.00359   0.01127   0.01484  -3.11005
   D46       -0.01984   0.00031   0.00443   0.01460   0.01902  -0.00082
   D47        0.09814   0.00011   0.00079  -0.00030   0.00047   0.09861
   D48       -3.08000  -0.00008   0.00163   0.00303   0.00465  -3.07535
   D49        0.45935  -0.00027  -0.00186  -0.00260  -0.00447   0.45488
   D50        2.57687  -0.00029  -0.00230  -0.00402  -0.00632   2.57055
   D51       -1.66057  -0.00026  -0.00233  -0.00357  -0.00590  -1.66647
   D52       -2.76588   0.00015   0.00104   0.00934   0.01037  -2.75551
   D53       -0.64835   0.00012   0.00060   0.00792   0.00851  -0.63984
   D54        1.39738   0.00015   0.00057   0.00837   0.00893   1.40632
   D55       -0.88410  -0.00038   0.01275  -0.00228   0.01046  -0.87364
   D56        1.22630  -0.00017   0.01149   0.00048   0.01197   1.23827
   D57       -3.02477  -0.00016   0.01201  -0.00133   0.01067  -3.01410
   D58        1.31450   0.00001   0.01011  -0.00114   0.00896   1.32346
   D59       -2.85829   0.00023   0.00885   0.00162   0.01047  -2.84782
   D60       -0.82617   0.00024   0.00937  -0.00020   0.00918  -0.81700
   D61       -2.94234   0.00004   0.01226  -0.00103   0.01122  -2.93112
   D62       -0.83194   0.00026   0.01100   0.00173   0.01273  -0.81921
   D63        1.20017   0.00027   0.01152  -0.00008   0.01144   1.21161
   D64       -1.06165  -0.00037   0.00412   0.02805   0.03217  -1.02949
   D65        1.07952  -0.00025   0.00450   0.02906   0.03356   1.11308
   D66        3.11659  -0.00037   0.00384   0.02767   0.03151  -3.13509
   D67        3.00313   0.00056   0.00797   0.02758   0.03555   3.03868
   D68       -1.13889   0.00068   0.00835   0.02860   0.03695  -1.10194
   D69        0.89818   0.00057   0.00769   0.02720   0.03489   0.93308
   D70        0.99620   0.00001   0.00538   0.02648   0.03187   1.02807
   D71        3.13737   0.00013   0.00577   0.02749   0.03326  -3.11255
   D72       -1.10874   0.00002   0.00511   0.02610   0.03121  -1.07753
   D73        3.07442   0.00109  -0.00069   0.04023   0.03954   3.11396
   D74        0.96417   0.00104  -0.00036   0.04009   0.03973   1.00390
   D75       -1.14603   0.00115  -0.00011   0.04051   0.04040  -1.10563
   D76       -1.06300  -0.00107  -0.00204   0.03807   0.03603  -1.02697
   D77        3.10994  -0.00112  -0.00172   0.03793   0.03621  -3.13703
   D78        0.99974  -0.00101  -0.00146   0.03835   0.03689   1.03663
   D79        0.98032   0.00017  -0.00252   0.03907   0.03655   1.01687
   D80       -1.12993   0.00012  -0.00219   0.03893   0.03674  -1.09319
   D81        3.04306   0.00023  -0.00194   0.03934   0.03741   3.08047
   D82        1.75038  -0.00001  -0.00836  -0.01941  -0.02778   1.72259
   D83       -1.33860   0.00117  -0.00453  -0.01304  -0.01758  -1.35619
   D84       -0.45972  -0.00068  -0.00740  -0.02051  -0.02791  -0.48763
   D85        2.73448   0.00049  -0.00357  -0.01414  -0.01771   2.71678
   D86       -2.48658  -0.00102  -0.00783  -0.02221  -0.03004  -2.51661
   D87        0.70763   0.00015  -0.00401  -0.01584  -0.01983   0.68779
   D88        1.73127  -0.00015   0.00091  -0.00204  -0.00113   1.73014
   D89       -2.48192  -0.00021   0.00226  -0.00123   0.00103  -2.48088
   D90       -0.37263  -0.00040   0.00292  -0.00192   0.00099  -0.37164
   D91       -0.37609  -0.00007   0.00284  -0.00384  -0.00099  -0.37708
   D92        1.69391  -0.00014   0.00419  -0.00303   0.00117   1.69508
   D93       -2.47999  -0.00033   0.00485  -0.00372   0.00113  -2.47886
   D94       -2.44230   0.00032   0.00244   0.00044   0.00288  -2.43942
   D95       -0.37230   0.00025   0.00379   0.00125   0.00504  -0.36726
   D96        1.73699   0.00006   0.00445   0.00056   0.00500   1.74199
   D97       -1.17657   0.00019  -0.00126  -0.00397  -0.00523  -1.18179
   D98        0.99812   0.00047  -0.00287  -0.00173  -0.00460   0.99352
   D99        3.04976   0.00023  -0.00225  -0.00334  -0.00559   3.04417
   D100       2.98975  -0.00036  -0.00228  -0.00539  -0.00767   2.98209
   D101      -1.11874  -0.00008  -0.00388  -0.00315  -0.00704  -1.12578
   D102       0.93290  -0.00032  -0.00327  -0.00476  -0.00803   0.92486
   D103       0.87030  -0.00011  -0.00181  -0.00490  -0.00671   0.86359
   D104       3.04499   0.00017  -0.00341  -0.00267  -0.00608   3.03890
   D105      -1.18656  -0.00007  -0.00280  -0.00428  -0.00708  -1.19364
   D106      -1.03644   0.00010  -0.00171  -0.00646  -0.00817  -1.04460
   D107      -3.12456   0.00010  -0.00155  -0.00668  -0.00823  -3.13279
   D108       1.07316   0.00011  -0.00142  -0.00641  -0.00784   1.06532
   D109       1.09510  -0.00008  -0.00188  -0.00672  -0.00859   1.08651
   D110      -0.99302  -0.00009  -0.00172  -0.00694  -0.00866  -1.00168
   D111      -3.07849  -0.00007  -0.00159  -0.00667  -0.00826  -3.08675
   D112      -3.09725  -0.00008  -0.00247  -0.00760  -0.01007  -3.10732
   D113       1.09782  -0.00009  -0.00231  -0.00783  -0.01014   1.08768
   D114      -0.98765  -0.00007  -0.00218  -0.00756  -0.00974  -0.99739
   D115       0.95313   0.00002  -0.00293  -0.00788  -0.01081   0.94232
   D116      -1.15600   0.00008  -0.00289  -0.00731  -0.01020  -1.16620
   D117       3.03826   0.00007  -0.00284  -0.00741  -0.01025   3.02801
   D118      -1.15470  -0.00016  -0.00341  -0.00871  -0.01212  -1.16682
   D119       3.01936  -0.00010  -0.00336  -0.00814  -0.01150   3.00785
   D120       0.93043  -0.00010  -0.00331  -0.00825  -0.01156   0.91887
   D121       3.04987  -0.00006  -0.00292  -0.00765  -0.01057   3.03930
   D122       0.94075  -0.00001  -0.00287  -0.00708  -0.00996   0.93079
   D123      -1.14818  -0.00001  -0.00283  -0.00718  -0.01001  -1.15819
   D124      -1.01074   0.00000  -0.00910  -0.02432  -0.03342  -1.04416
   D125       1.14368   0.00018  -0.00930  -0.02213  -0.03143   1.11224
   D126      -3.11345  -0.00002  -0.00961  -0.02380  -0.03342   3.13632
   D127       3.10790  -0.00039  -0.00819  -0.02785  -0.03604   3.07186
   D128      -1.02087  -0.00021  -0.00840  -0.02565  -0.03405  -1.05492
   D129       1.00519  -0.00040  -0.00871  -0.02733  -0.03603   0.96915
   D130       1.07627  -0.00014  -0.00862  -0.02661  -0.03523   1.04104
   D131      -3.05249   0.00004  -0.00883  -0.02442  -0.03325  -3.08574
   D132      -1.02644  -0.00016  -0.00914  -0.02609  -0.03523  -1.06167
   D133      -1.43492  -0.00011  -0.00079  -0.00497  -0.00576  -1.44068
   D134       1.71215  -0.00012  -0.00092  -0.00529  -0.00621   1.70594
   D135       2.70589  -0.00003  -0.00030  -0.00447  -0.00477   2.70112
   D136      -0.43023  -0.00004  -0.00043  -0.00479  -0.00522  -0.43545
   D137       0.64827   0.00004   0.00001  -0.00356  -0.00355   0.64472
   D138      -2.48785   0.00003  -0.00012  -0.00387  -0.00399  -2.49185
   D139       0.81040   0.00010  -0.00383  -0.00912  -0.01295   0.79745
   D140       2.90398   0.00014  -0.00326  -0.00790  -0.01116   2.89282
   D141      -1.31482  -0.00010  -0.00441  -0.01020  -0.01460  -1.32942
   D142      -1.31267   0.00000  -0.00408  -0.01007  -0.01415  -1.32682
   D143       0.78091   0.00004  -0.00350  -0.00885  -0.01236   0.76855
   D144       2.84529  -0.00021  -0.00465  -0.01115  -0.01580   2.82950
   D145       2.92396  -0.00013  -0.00370  -0.00996  -0.01366   2.91030
   D146      -1.26565  -0.00009  -0.00312  -0.00874  -0.01187  -1.27752
   D147       0.79874  -0.00034  -0.00427  -0.01104  -0.01531   0.78343
   D148      -0.83171  -0.00012   0.00161  -0.00057   0.00106  -0.83065
   D149      -2.94175   0.00006   0.00189   0.00089   0.00278  -2.93896
   D150       1.29486  -0.00006   0.00168  -0.00048   0.00121   1.29607
   D151      -2.92162  -0.00012   0.00135  -0.00139  -0.00003  -2.92165
   D152       1.25153   0.00007   0.00163   0.00007   0.00170   1.25323
   D153      -0.79505  -0.00005   0.00142  -0.00130   0.00012  -0.79493
   D154       1.29678  -0.00035   0.00228  -0.00040   0.00189   1.29868
   D155      -0.81325  -0.00017   0.00256   0.00106   0.00362  -0.80963
   D156      -2.85983  -0.00029   0.00236  -0.00031   0.00204  -2.85779
   D157      -1.24447   0.00023   0.00370   0.01732   0.02102  -1.22344
   D158       1.91671   0.00022   0.00337   0.01690   0.02027   1.93698
   D159       2.89867   0.00005   0.00432   0.01526   0.01958   2.91826
   D160      -0.22334   0.00005   0.00398   0.01484   0.01882  -0.20451
   D161       0.84048   0.00005   0.00441   0.01638   0.02079   0.86126
   D162      -2.28153   0.00005   0.00407   0.01596   0.02003  -2.26150
   D163      -3.13607  -0.00001  -0.00013  -0.00034  -0.00047  -3.13655
   D164       0.00528  -0.00001  -0.00020  -0.00047  -0.00067   0.00461
   D165       0.00011   0.00000   0.00000  -0.00003  -0.00003   0.00007
   D166       3.14147  -0.00001  -0.00006  -0.00016  -0.00023   3.14124
   D167       3.13710   0.00001   0.00012   0.00026   0.00038   3.13748
   D168      -0.00146   0.00000  -0.00016  -0.00013  -0.00030  -0.00175
   D169       0.00093   0.00000  -0.00001  -0.00005  -0.00006   0.00087
   D170      -3.13763  -0.00001  -0.00030  -0.00044  -0.00074  -3.13837
   D171      -3.12078  -0.00005  -0.00055  -0.00166  -0.00221  -3.12299
   D172       0.02907  -0.00006  -0.00085  -0.00212  -0.00297   0.02610
   D173       0.00149  -0.00004  -0.00022  -0.00124  -0.00146   0.00002
   D174      -3.13185  -0.00005  -0.00053  -0.00170  -0.00223  -3.13408
   D175       3.11952   0.00004   0.00054   0.00141   0.00195   3.12147
   D176      -0.02058   0.00007   0.00036   0.00206   0.00242  -0.01816
   D177      -0.00271   0.00003   0.00021   0.00099   0.00120  -0.00151
   D178       3.14038   0.00006   0.00003   0.00164   0.00168  -3.14113
   D179       2.76198  -0.00045  -0.00236  -0.01549  -0.01785   2.74413
   D180       0.70381  -0.00028  -0.00122  -0.01295  -0.01416   0.68965
   D181      -1.37868  -0.00009  -0.00152  -0.01207  -0.01359  -1.39227
   D182      -0.43114   0.00003  -0.00246   0.00694   0.00448  -0.42666
   D183      -2.48930   0.00019  -0.00132   0.00948   0.00816  -2.48114
   D184       1.71139   0.00039  -0.00162   0.01035   0.00874   1.72013
   D185      -0.00096   0.00000   0.00000   0.00011   0.00012  -0.00084
   D186       3.14012   0.00000  -0.00001   0.00002   0.00001   3.14013
   D187       3.14086   0.00001   0.00007   0.00025   0.00032   3.14118
   D188      -0.00124   0.00001   0.00006   0.00015   0.00021  -0.00104
   D189      -0.00111   0.00000   0.00001   0.00005   0.00007  -0.00104
   D190       3.13938   0.00000  -0.00014  -0.00003  -0.00017   3.13921
   D191       3.13746   0.00001   0.00030   0.00044   0.00074   3.13820
   D192      -0.00525   0.00001   0.00015   0.00036   0.00051  -0.00474
   D193       0.00095   0.00002   0.00005   0.00055   0.00060   0.00155
   D194      -3.13905   0.00002   0.00007   0.00048   0.00055  -3.13849
   D195       3.13426   0.00003   0.00035   0.00102   0.00137   3.13562
   D196      -0.00574   0.00003   0.00038   0.00095   0.00132  -0.00442
   D197       0.00149   0.00000  -0.00002  -0.00006  -0.00007   0.00142
   D198      -3.13983   0.00000  -0.00008   0.00004  -0.00004  -3.13987
   D199       3.14159  -0.00003   0.00016  -0.00071  -0.00055   3.14104
   D200       0.00027  -0.00003   0.00009  -0.00061  -0.00051  -0.00025
   D201       0.00079   0.00000   0.00000  -0.00011  -0.00011   0.00067
   D202      -3.14157   0.00000  -0.00001  -0.00017  -0.00019   3.14142
   D203      -3.14029   0.00000   0.00001  -0.00001   0.00000  -3.14029
   D204       0.00053   0.00000   0.00000  -0.00007  -0.00008   0.00045
   D205       0.00025   0.00000  -0.00001   0.00003   0.00002   0.00026
   D206      -3.14058   0.00000   0.00001   0.00009   0.00009  -3.14049
   D207      -3.14023   0.00000   0.00015   0.00011   0.00025  -3.13998
   D208       0.00213   0.00000   0.00016   0.00017   0.00033   0.00246
   D209      -0.00219   0.00001   0.00015   0.00040   0.00055  -0.00164
   D210       3.13950   0.00001   0.00008   0.00010   0.00019   3.13968
   D211       3.13781   0.00001   0.00012   0.00047   0.00059   3.13840
   D212      -0.00369   0.00001   0.00006   0.00018   0.00023  -0.00346
   D213       0.00097  -0.00002  -0.00016  -0.00065  -0.00081   0.00016
   D214      -3.14072  -0.00001  -0.00010  -0.00035  -0.00045  -3.14117
   D215      -3.14089  -0.00003  -0.00010  -0.00074  -0.00084   3.14145
   D216       0.00061  -0.00002  -0.00003  -0.00045  -0.00048   0.00012
   D217      -3.06002   0.00006   0.00158   0.00211   0.00370  -3.05632
   D218       0.07382   0.00005   0.00165   0.00255   0.00420   0.07803
   D219      -0.01158  -0.00001   0.00070   0.00099   0.00170  -0.00989
   D220       3.12226  -0.00001   0.00077   0.00143   0.00220   3.12446
   D221       3.06223   0.00004  -0.00109  -0.00130  -0.00238   3.05985
   D222      -0.07303   0.00003  -0.00089  -0.00098  -0.00187  -0.07490
   D223       0.01804   0.00000  -0.00038  -0.00051  -0.00089   0.01714
   D224      -3.11723  -0.00001  -0.00019  -0.00020  -0.00039  -3.11761
   D225      -0.00354   0.00001  -0.00054  -0.00063  -0.00116  -0.00470
   D226       3.14062  -0.00002  -0.00060  -0.00096  -0.00155   3.13907
   D227      -3.13736   0.00002  -0.00061  -0.00108  -0.00169  -3.13905
   D228       0.00679  -0.00001  -0.00067  -0.00141  -0.00208   0.00471
   D229      -2.94801  -0.00001  -0.00229  -0.00255  -0.00484  -2.95285
   D230       1.23602   0.00006  -0.00174  -0.00166  -0.00340   1.23262
   D231      -0.84277  -0.00011  -0.00252  -0.00318  -0.00570  -0.84847
   D232       0.18565  -0.00002  -0.00222  -0.00209  -0.00431   0.18134
   D233      -1.91350   0.00005  -0.00167  -0.00120  -0.00287  -1.91637
   D234       2.29089  -0.00011  -0.00244  -0.00272  -0.00517   2.28572
   D235      -0.00957   0.00000  -0.00011  -0.00033  -0.00044  -0.01000
   D236       3.13954  -0.00003  -0.00019  -0.00074  -0.00092   3.13861
   D237       3.12579   0.00001  -0.00030  -0.00064  -0.00094   3.12485
   D238      -0.00829  -0.00002  -0.00038  -0.00104  -0.00142  -0.00971
   D239       2.79874   0.00005   0.00197   0.00579   0.00776   2.80650
   D240       0.69789   0.00001   0.00190   0.00553   0.00743   0.70532
   D241      -1.39114   0.00008   0.00205   0.00601   0.00806  -1.38308
   D242      -0.33642   0.00004   0.00216   0.00610   0.00826  -0.32815
   D243      -2.43727   0.00000   0.00209   0.00584   0.00794  -2.42933
   D244       1.75688   0.00007   0.00225   0.00633   0.00857   1.76545
   D245       0.01186  -0.00001   0.00006  -0.00019  -0.00013   0.01173
   D246      -3.13312  -0.00002  -0.00024  -0.00062  -0.00087  -3.13399
   D247      -3.13232   0.00002   0.00013   0.00014   0.00027  -3.13205
   D248       0.00589   0.00001  -0.00018  -0.00029  -0.00047   0.00542
   D249      -0.00515   0.00001   0.00027   0.00069   0.00095  -0.00420
   D250       3.13983   0.00002   0.00057   0.00112   0.00169   3.14152
   D251       3.12890   0.00004   0.00034   0.00109   0.00144   3.13033
   D252      -0.00931   0.00005   0.00065   0.00152   0.00217  -0.00714
         Item               Value     Threshold  Converged?
 Maximum Force            0.003491     0.000450     NO 
 RMS     Force            0.000406     0.000300     NO 
 Maximum Displacement     0.377672     0.001800     NO 
 RMS     Displacement     0.067767     0.001200     NO 
 Predicted change in Energy=-5.935368D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.107776   -0.072516   -1.356550
      2          8           0       -3.471965    0.243512   -2.408079
      3          8           0       -3.318467   -2.430393    1.524008
      4          8           0        2.309754    2.171888    2.092256
      5          8           0        3.630373   -1.063417    1.442157
      6          7           0       -3.086707   -2.549709   -0.779336
      7          7           0       -3.118077    0.462138   -0.150159
      8          7           0        2.164275    0.910690    0.176042
      9          7           0       -1.715042   -3.856463    0.720356
     10          6           0       -2.656475    1.831979   -0.211158
     11          6           0       -4.177594   -1.622018   -0.970924
     12          6           0       -1.318423    1.998577   -0.955527
     13          6           0       -0.223370    1.046637   -0.484447
     14          6           0       -5.173671   -1.999908   -2.088473
     15          6           0        1.171722    1.738223   -0.465825
     16          6           0       -2.553586    2.463285    1.190982
     17          6           0       -3.583238   -0.213321   -1.253231
     18          6           0       -2.371657   -3.047433   -1.930065
     19          6           0       -0.968392   -3.557459   -1.608965
     20          6           0        1.566626    2.114403   -1.906666
     21          6           0       -2.738897   -2.934979    0.526672
     22          6           0       -6.278700   -0.961175   -2.146569
     23          6           0       -5.781046   -3.365747   -1.846778
     24          6           0       -0.985143   -4.443471   -0.364673
     25          6           0       -3.860657    2.455791    1.901670
     26          6           0        2.846664    2.867292   -1.978758
     27          6           0        2.661688    1.174299    1.426920
     28          6           0       -4.805601    3.457615    1.649483
     29          6           0       -4.155965    1.452470    2.832233
     30          6           0        2.920280    4.183087   -1.504081
     31          6           0        3.985627    2.279492   -2.541227
     32          6           0        3.715035    0.242027    2.024501
     33          6           0       -6.027954    3.455546    2.318647
     34          6           0       -5.380116    1.452129    3.499499
     35          6           0       -6.317407    2.452841    3.244266
     36          6           0        4.113213    4.897551   -1.591137
     37          6           0        5.177996    2.996663   -2.629075
     38          6           0        5.244182    4.306144   -2.154686
     39          6           0        4.865689   -1.665529    1.215001
     40          6           0        5.198983   -1.970190   -0.120374
     41          6           0        5.690397   -2.057820    2.282682
     42          6           0        6.383917   -2.667250   -0.369880
     43          6           0        6.874355   -2.747162    1.993985
     44          6           0        4.309316   -1.569116   -1.233856
     45          6           0        5.327127   -1.765036    3.688104
     46          6           0        7.218969   -3.046814    0.679525
     47          1           0       -3.423383    2.424166   -0.802925
     48          1           0       -4.771322   -1.569779   -0.003977
     49          1           0       -1.501898    1.822239   -2.051047
     50          1           0       -0.991107    3.061789   -0.827159
     51          1           0       -0.460444    0.676355    0.553432
     52          1           0       -4.625672   -1.996288   -3.071871
     53          1           0        1.062177    2.687452    0.141529
     54          1           0       -3.240221    0.056915    0.751883
     55          1           0       -1.780321    1.922821    1.799418
     56          1           0       -2.198495    3.520623    1.063905
     57          1           0       -2.963881   -3.888024   -2.397502
     58          1           0       -2.302939   -2.214023   -2.689650
     59          1           0       -0.593096   -4.152293   -2.479497
     60          1           0       -0.269101   -2.694195   -1.454251
     61          1           0        1.619720    1.181570   -2.529260
     62          1           0        0.740455    2.748887   -2.326907
     63          1           0       -6.824937   -0.908936   -1.174260
     64          1           0       -7.008385   -1.232846   -2.946962
     65          1           0       -5.858798    0.047033   -2.380755
     66          1           0       -6.237363   -3.417534   -0.828698
     67          1           0       -5.019043   -4.175729   -1.933561
     68          1           0       -6.580927   -3.561457   -2.602222
     69          1           0        0.073931   -4.630780   -0.025692
     70          1           0       -1.440294   -5.443225   -0.630208
     71          1           0        2.383841    0.044852   -0.261390
     72          1           0       -1.536614   -4.147432    1.651047
     73          1           0       -0.988471   -0.462188   -1.434652
     74          1           0       -4.579319    4.248964    0.919612
     75          1           0       -3.419708    0.661082    3.041237
     76          1           0        2.031306    4.649586   -1.054177
     77          1           0        3.938550    1.246628   -2.917529
     78          1           0        3.505005    0.138896    3.122115
     79          1           0        4.723177    0.705242    1.865292
     80          1           0       -6.764538    4.246689    2.116151
     81          1           0       -5.604957    0.658727    4.227511
     82          1           0       -7.282001    2.452014    3.771925
     83          1           0        4.162496    5.929166   -1.213174
     84          1           0        6.067463    2.527453   -3.073982
     85          1           0        6.184557    4.871240   -2.224610
     86          1           0        6.657913   -2.915234   -1.406313
     87          1           0        7.532578   -3.058847    2.819069
     88          1           0        4.618673   -2.051839   -2.192497
     89          1           0        4.341469   -0.457629   -1.370607
     90          1           0        3.252345   -1.862303   -1.010942
     91          1           0        5.887509   -2.426381    4.393527
     92          1           0        4.231081   -1.922430    3.849000
     93          1           0        5.570558   -0.700909    3.936257
     94          1           0        8.152577   -3.589017    0.467946
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0835827      0.0397464      0.0345961
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3209.3281288324 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.243672590459     A.U. after   14 cycles
             Convg  =    0.6870D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.001140321    0.000962440   -0.000420828
      2        8           0.000012085   -0.000702226    0.000550768
      3        8          -0.000888618    0.000221323   -0.000710744
      4        8           0.000007075   -0.000670370   -0.000003717
      5        8           0.000083547    0.000352029   -0.000331464
      6        7           0.000681141    0.001708080    0.002617024
      7        7          -0.000339859   -0.000036702    0.000096279
      8        7           0.000234635   -0.001605566   -0.000422756
      9        7           0.000106658    0.001024817    0.000657000
     10        6           0.000403639   -0.000133963    0.000217279
     11        6          -0.000657855    0.000137632   -0.000075176
     12        6           0.000596617    0.000653106   -0.000114294
     13        6          -0.001268487   -0.000284736    0.000984056
     14        6          -0.000445532   -0.000380618   -0.000582369
     15        6          -0.000437964    0.000342841    0.000237161
     16        6          -0.000307361    0.000179493    0.000043735
     17        6          -0.000110312   -0.000054601   -0.001035008
     18        6           0.000138818   -0.000265764   -0.000648356
     19        6          -0.000064316    0.000256231   -0.000018459
     20        6           0.000343367   -0.000281363   -0.000247176
     21        6           0.000665225   -0.001904988   -0.000494481
     22        6           0.000230013    0.000000910    0.000134086
     23        6           0.000186922   -0.000008469   -0.000172071
     24        6          -0.000184331   -0.000326176   -0.000368910
     25        6           0.000163806   -0.000192426   -0.000120196
     26        6          -0.000095624    0.000194729    0.000020921
     27        6          -0.000304395    0.002044867    0.000210888
     28        6           0.000024685   -0.000002529   -0.000058277
     29        6          -0.000077981   -0.000009496    0.000030265
     30        6           0.000163010    0.000092148    0.000007325
     31        6          -0.000171763    0.000068062    0.000007342
     32        6          -0.000196821   -0.001414044    0.000567986
     33        6           0.000061245    0.000045169    0.000000675
     34        6          -0.000171643   -0.000014420   -0.000017638
     35        6           0.000069711   -0.000064277    0.000020524
     36        6           0.000067888   -0.000007001    0.000070200
     37        6          -0.000057031   -0.000005754   -0.000094161
     38        6          -0.000051358    0.000062537    0.000076565
     39        6          -0.000738895   -0.000832222    0.001258300
     40        6          -0.000679043    0.000562019   -0.000684246
     41        6           0.000753440    0.000365402   -0.000595613
     42        6           0.000382360   -0.000204472    0.000078535
     43        6          -0.000094975    0.000389788   -0.000397391
     44        6           0.000090790    0.000210143   -0.000458422
     45        6          -0.000018170   -0.000108648    0.000181866
     46        6          -0.000083700   -0.000242720    0.000443243
     47        1           0.000003496   -0.000107013   -0.000138164
     48        1           0.000516961    0.000667376    0.000468764
     49        1          -0.000158978   -0.000041059   -0.000090478
     50        1           0.000143403   -0.000111497   -0.000278343
     51        1           0.000677646    0.000206467   -0.000336549
     52        1          -0.000096979    0.000022104    0.000234934
     53        1           0.000289623   -0.000252508   -0.000339999
     54        1           0.000103669    0.000632099   -0.000254090
     55        1           0.000140798   -0.000041218    0.000017672
     56        1          -0.000221631   -0.000103797    0.000150456
     57        1          -0.000178055    0.000288215   -0.000030405
     58        1           0.000116884   -0.000353859   -0.000185705
     59        1           0.000092476    0.000022441    0.000075691
     60        1          -0.000612485   -0.000327967   -0.000480756
     61        1           0.000104915   -0.000047741    0.000135471
     62        1          -0.000164354    0.000108038    0.000192554
     63        1           0.000056715    0.000077462   -0.000059893
     64        1          -0.000036393    0.000010809    0.000141272
     65        1          -0.000196780   -0.000032704    0.000002660
     66        1           0.000037994    0.000054506   -0.000066939
     67        1           0.000245308   -0.000281249   -0.000168259
     68        1          -0.000082194    0.000016146    0.000019604
     69        1           0.000004450    0.000051200   -0.000013128
     70        1          -0.000177112    0.000014644   -0.000003852
     71        1           0.000064251    0.000161871    0.000246717
     72        1          -0.000058887   -0.000425712   -0.000106424
     73        1          -0.000253641   -0.000696138    0.000625027
     74        1          -0.000051153   -0.000059983   -0.000010716
     75        1           0.000202663    0.000038424    0.000041518
     76        1          -0.000103172   -0.000002938   -0.000012856
     77        1           0.000054955    0.000021466    0.000063687
     78        1           0.000205093    0.000480203   -0.000342527
     79        1           0.000111979    0.000278375   -0.000196051
     80        1          -0.000055843    0.000001668   -0.000004531
     81        1           0.000041347    0.000043097   -0.000012115
     82        1          -0.000036865    0.000063217   -0.000021345
     83        1          -0.000017417   -0.000017474   -0.000055648
     84        1           0.000041865   -0.000036017    0.000022580
     85        1           0.000039557   -0.000050783   -0.000048738
     86        1           0.000067106   -0.000087708    0.000097570
     87        1          -0.000006336   -0.000011082   -0.000055998
     88        1           0.000028552   -0.000081978    0.000184201
     89        1           0.000027355   -0.000141438    0.000016148
     90        1           0.000162317    0.000038876    0.000028190
     91        1           0.000067546   -0.000044234   -0.000005098
     92        1          -0.000131032    0.000002032    0.000061346
     93        1          -0.000125663   -0.000043456   -0.000008625
     94        1          -0.000044914   -0.000021390    0.000060901
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002617024 RMS     0.000425653

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002527955 RMS     0.000336259
 Search for a local minimum.
 Step number  14 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points    9   11   12   13   14
 DE= -5.38D-04 DEPred=-5.94D-04 R= 9.06D-01
 SS=  1.41D+00  RLast= 3.00D-01 DXNew= 5.0454D-01 9.0000D-01
 Trust test= 9.06D-01 RLast= 3.00D-01 DXMaxT set to 5.05D-01
     Eigenvalues ---    0.00092   0.00195   0.00230   0.00235   0.00236
     Eigenvalues ---    0.00239   0.00245   0.00305   0.00343   0.00400
     Eigenvalues ---    0.00431   0.00432   0.00478   0.00485   0.00531
     Eigenvalues ---    0.00594   0.00664   0.00766   0.00902   0.01045
     Eigenvalues ---    0.01191   0.01318   0.01370   0.01386   0.01398
     Eigenvalues ---    0.01434   0.01440   0.01447   0.01522   0.01540
     Eigenvalues ---    0.01915   0.02016   0.02041   0.02082   0.02096
     Eigenvalues ---    0.02118   0.02120   0.02140   0.02144   0.02150
     Eigenvalues ---    0.02152   0.02157   0.02161   0.02169   0.02172
     Eigenvalues ---    0.02172   0.02176   0.02176   0.02179   0.02180
     Eigenvalues ---    0.02182   0.02183   0.02186   0.02187   0.02188
     Eigenvalues ---    0.02277   0.02459   0.02689   0.03099   0.03406
     Eigenvalues ---    0.03449   0.03712   0.03772   0.03859   0.03945
     Eigenvalues ---    0.04061   0.04263   0.04344   0.04401   0.04590
     Eigenvalues ---    0.04799   0.04849   0.04936   0.05041   0.05090
     Eigenvalues ---    0.05126   0.05378   0.05396   0.05401   0.05486
     Eigenvalues ---    0.05557   0.05580   0.05600   0.05618   0.05664
     Eigenvalues ---    0.05783   0.05947   0.06047   0.06776   0.07022
     Eigenvalues ---    0.07095   0.07117   0.07239   0.07371   0.07542
     Eigenvalues ---    0.07750   0.07998   0.08249   0.08512   0.09121
     Eigenvalues ---    0.09307   0.09414   0.09520   0.10970   0.11529
     Eigenvalues ---    0.12333   0.12381   0.12723   0.12882   0.14030
     Eigenvalues ---    0.15785   0.15838   0.15875   0.15949   0.15987
     Eigenvalues ---    0.15996   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16003   0.16005   0.16006
     Eigenvalues ---    0.16011   0.16027   0.16085   0.16181   0.16436
     Eigenvalues ---    0.16631   0.16857   0.17149   0.17587   0.18662
     Eigenvalues ---    0.19059   0.19706   0.20078   0.20417   0.21320
     Eigenvalues ---    0.21833   0.21871   0.21992   0.21995   0.22000
     Eigenvalues ---    0.22000   0.22000   0.22090   0.22392   0.23169
     Eigenvalues ---    0.23354   0.23473   0.23495   0.23560   0.23951
     Eigenvalues ---    0.24593   0.24628   0.24826   0.24982   0.24998
     Eigenvalues ---    0.25012   0.25017   0.25052   0.25145   0.25203
     Eigenvalues ---    0.26269   0.26688   0.26807   0.27087   0.27437
     Eigenvalues ---    0.27814   0.27901   0.28371   0.28577   0.28675
     Eigenvalues ---    0.29218   0.29809   0.30077   0.30159   0.30632
     Eigenvalues ---    0.31682   0.32353   0.32996   0.33517   0.34368
     Eigenvalues ---    0.34422   0.34458   0.34523   0.34603   0.34637
     Eigenvalues ---    0.34651   0.34684   0.34697   0.34706   0.34719
     Eigenvalues ---    0.34734   0.34736   0.34744   0.34747   0.34751
     Eigenvalues ---    0.34762   0.34773   0.34781   0.34791   0.34800
     Eigenvalues ---    0.34808   0.34817   0.34828   0.34832   0.34842
     Eigenvalues ---    0.34856   0.34871   0.34909   0.35037   0.35465
     Eigenvalues ---    0.35770   0.35877   0.35896   0.35918   0.35939
     Eigenvalues ---    0.35968   0.35981   0.35987   0.36000   0.36003
     Eigenvalues ---    0.36024   0.36033   0.36057   0.36234   0.37533
     Eigenvalues ---    0.38389   0.39475   0.41241   0.42091   0.42213
     Eigenvalues ---    0.42256   0.42335   0.42475   0.42802   0.44876
     Eigenvalues ---    0.45645   0.45792   0.45974   0.46069   0.46091
     Eigenvalues ---    0.46136   0.46221   0.46340   0.46423   0.46760
     Eigenvalues ---    0.46764   0.46906   0.47014   0.47228   0.47736
     Eigenvalues ---    0.48878   0.51628   0.53039   0.54629   0.55613
     Eigenvalues ---    0.57931   0.61334   0.90404   0.90696   0.93003
     Eigenvalues ---    0.984091000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    14   13   12
 RFO step:  Lambda=-2.13977552D-04.
 DIIS coeffs:      1.49483      1.41769     -1.91252
 Maximum step size (   0.505) exceeded in Quadratic search.
    -- Step size scaled by   0.458
 Iteration  1 RMS(Cart)=  0.13286602 RMS(Int)=  0.00311591
 Iteration  2 RMS(Cart)=  0.00657749 RMS(Int)=  0.00010489
 Iteration  3 RMS(Cart)=  0.00002120 RMS(Int)=  0.00010454
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00010454
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69008   0.00052   0.00025   0.00080   0.00106   2.69113
    R2        1.82588  -0.00014   0.00079   0.00067   0.00146   1.82734
    R3        2.35630   0.00079  -0.00025   0.00035   0.00010   2.35640
    R4        2.37924   0.00097  -0.00035   0.00012  -0.00023   2.37901
    R5        2.36156  -0.00005   0.00055   0.00003   0.00059   2.36215
    R6        2.70599  -0.00019   0.00027   0.00044   0.00072   2.70671
    R7        2.63218  -0.00013  -0.00038   0.00013  -0.00025   2.63193
    R8        2.73021  -0.00031  -0.00137   0.00063  -0.00074   2.72948
    R9        2.72750  -0.00092  -0.00004  -0.00048  -0.00050   2.72700
   R10        2.65576  -0.00039   0.00002  -0.00082  -0.00078   2.65498
   R11        2.73408  -0.00056  -0.00117   0.00119   0.00002   2.73410
   R12        2.59752  -0.00021  -0.00060  -0.00025  -0.00085   2.59667
   R13        1.88291   0.00065   0.00154   0.00203   0.00357   1.88648
   R14        2.72669  -0.00017   0.00176   0.00160   0.00336   2.73005
   R15        2.59217  -0.00016  -0.00033  -0.00076  -0.00108   2.59108
   R16        1.87952   0.00025  -0.00030   0.00008  -0.00022   1.87930
   R17        2.62864  -0.00035  -0.00084  -0.00169  -0.00253   2.62611
   R18        2.70872  -0.00026   0.00106  -0.00050   0.00054   2.70926
   R19        1.87329  -0.00020   0.00025  -0.00027  -0.00003   1.87327
   R20        2.91056   0.00013  -0.00037   0.00285   0.00247   2.91304
   R21        2.91234  -0.00010   0.00009   0.00052   0.00061   2.91295
   R22        2.14550  -0.00003  -0.00116  -0.00096  -0.00212   2.14338
   R23        2.91771  -0.00047  -0.00167  -0.00141  -0.00308   2.91463
   R24        2.93813   0.00008  -0.00180   0.00109  -0.00071   2.93743
   R25        2.14651   0.00017   0.00053   0.00071   0.00125   2.14775
   R26        2.88284   0.00016  -0.00046   0.00115   0.00069   2.88353
   R27        2.12535  -0.00002  -0.00082  -0.00035  -0.00117   2.12418
   R28        2.11618   0.00021  -0.00089  -0.00035  -0.00124   2.11494
   R29        2.94271   0.00032  -0.00516  -0.00100  -0.00615   2.93656
   R30        2.13004   0.00056   0.00002   0.00138   0.00140   2.13143
   R31        2.86805  -0.00010   0.00059   0.00029   0.00088   2.86892
   R32        2.86145  -0.00023   0.00086   0.00075   0.00160   2.86305
   R33        2.12742   0.00011  -0.00029   0.00022  -0.00007   2.12735
   R34        2.91133  -0.00004  -0.00204   0.00015  -0.00189   2.90944
   R35        2.13958   0.00020  -0.00038   0.00021  -0.00017   2.13941
   R36        2.81155  -0.00018   0.00020   0.00002   0.00022   2.81177
   R37        2.12141   0.00013  -0.00005   0.00040   0.00035   2.12176
   R38        2.12138   0.00009  -0.00034   0.00001  -0.00033   2.12105
   R39        2.88602  -0.00043  -0.00056  -0.00102  -0.00157   2.88445
   R40        2.13449   0.00013   0.00012   0.00029   0.00042   2.13490
   R41        2.13486   0.00018  -0.00064   0.00016  -0.00048   2.13438
   R42        2.88674   0.00006   0.00008  -0.00066  -0.00062   2.88612
   R43        2.11489   0.00009  -0.00007   0.00021   0.00014   2.11503
   R44        2.11967   0.00057   0.00001   0.00073   0.00074   2.12041
   R45        2.80962  -0.00034   0.00096   0.00015   0.00111   2.81073
   R46        2.12173   0.00016   0.00007   0.00055   0.00062   2.12235
   R47        2.12267   0.00018  -0.00083  -0.00019  -0.00102   2.12165
   R48        2.10981   0.00009  -0.00044  -0.00007  -0.00051   2.10930
   R49        2.11014   0.00014  -0.00032   0.00011  -0.00021   2.10992
   R50        2.11079   0.00010  -0.00042  -0.00006  -0.00048   2.11030
   R51        2.11057   0.00008  -0.00028  -0.00002  -0.00031   2.11027
   R52        2.10791   0.00020  -0.00038   0.00000  -0.00038   2.10753
   R53        2.11177   0.00007  -0.00021   0.00004  -0.00017   2.11160
   R54        2.13098  -0.00001  -0.00002   0.00009   0.00007   2.13105
   R55        2.13562  -0.00003  -0.00072  -0.00054  -0.00126   2.13436
   R56        2.64573   0.00005  -0.00007   0.00011   0.00004   2.64577
   R57        2.64549   0.00009  -0.00018   0.00009  -0.00010   2.64539
   R58        2.64700  -0.00005   0.00001  -0.00006  -0.00004   2.64696
   R59        2.64502  -0.00009   0.00000  -0.00010  -0.00010   2.64492
   R60        2.88811  -0.00016   0.00087   0.00016   0.00103   2.88915
   R61        2.63339   0.00003   0.00007  -0.00004   0.00003   2.63342
   R62        2.07883   0.00008  -0.00029  -0.00004  -0.00033   2.07850
   R63        2.63465   0.00008   0.00010   0.00009   0.00019   2.63484
   R64        2.08046   0.00021  -0.00014   0.00033   0.00019   2.08065
   R65        2.63285   0.00002   0.00005  -0.00009  -0.00004   2.63281
   R66        2.07897   0.00008  -0.00031  -0.00006  -0.00037   2.07859
   R67        2.63466   0.00005   0.00009  -0.00001   0.00008   2.63473
   R68        2.07924   0.00008  -0.00029  -0.00003  -0.00032   2.07892
   R69        2.12080   0.00061  -0.00045   0.00081   0.00036   2.12116
   R70        2.11807  -0.00015   0.00066   0.00017   0.00083   2.11890
   R71        2.63613  -0.00003   0.00007  -0.00013  -0.00007   2.63607
   R72        2.07824   0.00006  -0.00022  -0.00005  -0.00027   2.07797
   R73        2.63553  -0.00005   0.00009  -0.00017  -0.00007   2.63546
   R74        2.07873   0.00006  -0.00016   0.00001  -0.00015   2.07859
   R75        2.07772   0.00008  -0.00014   0.00004  -0.00009   2.07763
   R76        2.63645  -0.00004   0.00012  -0.00012   0.00000   2.63645
   R77        2.07828   0.00006  -0.00020  -0.00001  -0.00021   2.07807
   R78        2.63491  -0.00005   0.00009  -0.00018  -0.00009   2.63482
   R79        2.07806   0.00006  -0.00017   0.00001  -0.00017   2.07789
   R80        2.07743   0.00007  -0.00010   0.00007  -0.00003   2.07740
   R81        2.66386  -0.00080  -0.00120  -0.00164  -0.00285   2.66102
   R82        2.65503   0.00052  -0.00069   0.00079   0.00010   2.65513
   R83        2.64036   0.00048  -0.00049   0.00039  -0.00010   2.64026
   R84        2.79795  -0.00038   0.00138  -0.00035   0.00104   2.79898
   R85        2.64582  -0.00015   0.00006   0.00011   0.00018   2.64599
   R86        2.79839  -0.00030   0.00103   0.00030   0.00132   2.79971
   R87        2.63387  -0.00005   0.00067   0.00036   0.00103   2.63490
   R88        2.07935   0.00013   0.00000   0.00029   0.00028   2.07964
   R89        2.62961   0.00059  -0.00058   0.00031  -0.00027   2.62934
   R90        2.07970   0.00002  -0.00011   0.00000  -0.00011   2.07959
   R91        2.11085   0.00020  -0.00031   0.00016  -0.00015   2.11070
   R92        2.11712   0.00006  -0.00027  -0.00007  -0.00034   2.11678
   R93        2.11517  -0.00003  -0.00029  -0.00029  -0.00058   2.11460
   R94        2.11196   0.00005  -0.00033  -0.00009  -0.00042   2.11153
   R95        2.11445   0.00008  -0.00034  -0.00001  -0.00035   2.11410
   R96        2.11548   0.00008  -0.00043  -0.00009  -0.00052   2.11497
   R97        2.07902  -0.00001  -0.00006  -0.00005  -0.00010   2.07891
    A1        1.86771   0.00099  -0.00055   0.00205   0.00150   1.86921
    A2        1.99103  -0.00020  -0.00173  -0.00094  -0.00268   1.98835
    A3        2.08262   0.00077  -0.00152   0.00290   0.00017   2.08279
    A4        2.07845  -0.00130   0.00045  -0.00545  -0.00618   2.07227
    A5        2.12206   0.00053   0.00153   0.00193   0.00205   2.12411
    A6        2.14052  -0.00041   0.00001   0.00039   0.00032   2.14084
    A7        2.05142   0.00038  -0.00056  -0.00001  -0.00064   2.05078
    A8        2.07736   0.00013  -0.00089  -0.00138  -0.00233   2.07502
    A9        2.14705  -0.00032   0.00161  -0.00089   0.00045   2.14749
   A10        2.04371   0.00009  -0.00171  -0.00127  -0.00326   2.04045
   A11        2.08095   0.00019  -0.00158  -0.00110  -0.00296   2.07798
   A12        2.14206  -0.00035   0.00064  -0.00139  -0.00110   2.14096
   A13        2.04615   0.00022   0.00084   0.00200   0.00274   2.04890
   A14        2.09303   0.00015  -0.00083   0.00069  -0.00024   2.09279
   A15        1.98227  -0.00056  -0.00535   0.00295  -0.00242   1.97985
   A16        1.95065   0.00050   0.00024   0.00197   0.00215   1.95280
   A17        1.87581   0.00012   0.00046  -0.00210  -0.00163   1.87418
   A18        1.91494   0.00004  -0.00260  -0.00356  -0.00617   1.90877
   A19        1.85303   0.00006   0.00503   0.00063   0.00567   1.85870
   A20        1.88141  -0.00017   0.00307  -0.00004   0.00304   1.88445
   A21        2.01080   0.00101  -0.00143   0.00202   0.00062   2.01142
   A22        1.89358  -0.00253  -0.00456  -0.00366  -0.00823   1.88535
   A23        1.88737  -0.00005   0.00396  -0.00285   0.00107   1.88844
   A24        1.91447   0.00146   0.00431   0.00606   0.01037   1.92484
   A25        1.86524  -0.00062   0.00055  -0.00095  -0.00039   1.86484
   A26        1.88885   0.00077  -0.00290  -0.00085  -0.00376   1.88508
   A27        1.98982   0.00144  -0.00649   0.00259  -0.00390   1.98592
   A28        1.88817  -0.00046  -0.00106  -0.00071  -0.00177   1.88641
   A29        1.87677  -0.00039   0.00609   0.00182   0.00792   1.88469
   A30        1.89658  -0.00030   0.00213   0.00293   0.00505   1.90163
   A31        1.92543  -0.00056   0.00101  -0.00367  -0.00263   1.92280
   A32        1.88410   0.00023  -0.00157  -0.00328  -0.00485   1.87925
   A33        1.93873   0.00110  -0.00009   0.00194   0.00182   1.94056
   A34        1.85848  -0.00018   0.00049  -0.00032   0.00014   1.85863
   A35        1.89961  -0.00037  -0.00182  -0.00148  -0.00331   1.89630
   A36        1.94942  -0.00114   0.00427   0.00059   0.00485   1.95427
   A37        1.91596   0.00028  -0.00356   0.00004  -0.00352   1.91243
   A38        1.90003   0.00030   0.00076  -0.00088  -0.00010   1.89993
   A39        1.90701   0.00064   0.00214   0.00187   0.00401   1.91102
   A40        1.94336  -0.00100  -0.00079  -0.00248  -0.00326   1.94010
   A41        1.89383   0.00025   0.00077   0.00222   0.00298   1.89681
   A42        1.90859   0.00027  -0.00132  -0.00057  -0.00188   1.90671
   A43        1.89523  -0.00025  -0.00019  -0.00030  -0.00051   1.89473
   A44        1.91514   0.00010  -0.00056  -0.00068  -0.00124   1.91390
   A45        1.94645   0.00042   0.00025   0.00327   0.00353   1.94997
   A46        1.96032  -0.00020  -0.00303  -0.00316  -0.00620   1.95412
   A47        1.88468  -0.00022   0.00166  -0.00265  -0.00099   1.88369
   A48        1.90382  -0.00016   0.00065   0.00149   0.00215   1.90597
   A49        1.86719   0.00003   0.00003   0.00075   0.00078   1.86798
   A50        1.89840   0.00013   0.00060   0.00038   0.00097   1.89937
   A51        1.95398   0.00055   0.00042   0.00202   0.00244   1.95642
   A52        1.91971  -0.00021  -0.00227  -0.00265  -0.00492   1.91479
   A53        1.87964  -0.00029   0.00185   0.00007   0.00191   1.88155
   A54        1.92178  -0.00012   0.00191   0.00197   0.00389   1.92567
   A55        1.91421  -0.00012  -0.00059  -0.00085  -0.00145   1.91276
   A56        1.87227   0.00016  -0.00141  -0.00072  -0.00213   1.87014
   A57        2.13296   0.00046   0.00076   0.00065   0.00129   2.13425
   A58        2.13439   0.00013   0.00196   0.00138   0.00321   2.13760
   A59        2.01405  -0.00066  -0.00319  -0.00275  -0.00606   2.00799
   A60        1.98531  -0.00045   0.00242   0.00157   0.00381   1.98912
   A61        1.90373  -0.00016  -0.00093  -0.00152  -0.00240   1.90133
   A62        1.88788   0.00034  -0.00039   0.00093   0.00060   1.88848
   A63        1.89678   0.00057   0.00051   0.00122   0.00181   1.89859
   A64        1.90905  -0.00034  -0.00139  -0.00274  -0.00412   1.90493
   A65        1.87827   0.00006  -0.00035   0.00048   0.00011   1.87838
   A66        1.93358   0.00017   0.00202   0.00253   0.00442   1.93801
   A67        1.89872  -0.00004  -0.00071  -0.00024  -0.00090   1.89782
   A68        1.92284  -0.00039   0.00016  -0.00171  -0.00155   1.92129
   A69        1.90603  -0.00008   0.00068   0.00041   0.00113   1.90716
   A70        1.91863   0.00020   0.00010  -0.00003   0.00011   1.91875
   A71        1.88313   0.00013  -0.00236  -0.00105  -0.00343   1.87970
   A72        1.97108  -0.00019  -0.00181  -0.00190  -0.00371   1.96737
   A73        1.90483   0.00012  -0.00046   0.00057   0.00011   1.90494
   A74        1.87474   0.00000   0.00155   0.00157   0.00313   1.87787
   A75        1.93170   0.00002   0.00125   0.00084   0.00209   1.93379
   A76        1.90610   0.00013   0.00091   0.00087   0.00179   1.90789
   A77        1.87195  -0.00007  -0.00144  -0.00196  -0.00340   1.86855
   A78        2.10870  -0.00073  -0.00004  -0.00260  -0.00259   2.10612
   A79        2.08750   0.00069   0.00076   0.00263   0.00345   2.09095
   A80        2.08652   0.00004  -0.00063   0.00011  -0.00068   2.08584
   A81        1.93362  -0.00013  -0.00042  -0.00054  -0.00096   1.93266
   A82        1.91422  -0.00010  -0.00042  -0.00038  -0.00080   1.91342
   A83        1.93059   0.00028   0.00119   0.00101   0.00220   1.93279
   A84        1.89221   0.00007   0.00017   0.00031   0.00047   1.89269
   A85        1.90105  -0.00004   0.00012   0.00008   0.00021   1.90125
   A86        1.89123  -0.00008  -0.00068  -0.00048  -0.00116   1.89007
   A87        1.92966   0.00006   0.00011  -0.00002   0.00008   1.92974
   A88        1.94825  -0.00049   0.00024  -0.00058  -0.00034   1.94792
   A89        1.91471   0.00007   0.00024   0.00044   0.00068   1.91539
   A90        1.89268   0.00013  -0.00037  -0.00047  -0.00084   1.89184
   A91        1.89194   0.00001   0.00009   0.00027   0.00036   1.89230
   A92        1.88515   0.00024  -0.00032   0.00038   0.00005   1.88521
   A93        1.96561   0.00003   0.00017  -0.00042  -0.00039   1.96523
   A94        1.89517  -0.00017  -0.00032  -0.00056  -0.00081   1.89436
   A95        1.91246   0.00011  -0.00068  -0.00040  -0.00107   1.91140
   A96        1.90805   0.00010  -0.00098  -0.00096  -0.00189   1.90616
   A97        1.90300  -0.00013   0.00133   0.00126   0.00261   1.90561
   A98        1.87752   0.00005   0.00049   0.00113   0.00161   1.87913
   A99        2.09820  -0.00006  -0.00042  -0.00043  -0.00085   2.09735
   A100       2.10186   0.00007   0.00012   0.00035   0.00047   2.10233
   A101       2.08311  -0.00001   0.00030   0.00008   0.00039   2.08350
   A102       2.09959   0.00005  -0.00012   0.00003  -0.00009   2.09951
   A103       2.10296  -0.00008  -0.00002  -0.00006  -0.00009   2.10287
   A104       2.08048   0.00003   0.00015   0.00006   0.00021   2.08069
   A105       2.13742   0.00008   0.00067   0.00004   0.00068   2.13810
   A106       2.06334   0.00023  -0.00004   0.00043   0.00036   2.06370
   A107       2.08204  -0.00033  -0.00045  -0.00087  -0.00136   2.08068
   A108       2.09956   0.00000  -0.00005   0.00002  -0.00003   2.09953
   A109       2.08912   0.00002   0.00018   0.00018   0.00036   2.08948
   A110       2.09451  -0.00002  -0.00013  -0.00019  -0.00033   2.09418
   A111       2.09847  -0.00005  -0.00021  -0.00026  -0.00047   2.09800
   A112       2.09475   0.00006   0.00043   0.00055   0.00097   2.09572
   A113       2.08996  -0.00001  -0.00022  -0.00028  -0.00050   2.08946
   A114       2.10080  -0.00002  -0.00001  -0.00003  -0.00004   2.10076
   A115       2.08799   0.00003   0.00018   0.00024   0.00043   2.08841
   A116       2.09437  -0.00001  -0.00016  -0.00021  -0.00037   2.09400
   A117       2.10044  -0.00002  -0.00008  -0.00007  -0.00015   2.10029
   A118       2.09075   0.00002   0.00044   0.00043   0.00086   2.09161
   A119       2.09199  -0.00001  -0.00036  -0.00035  -0.00071   2.09128
   A120       1.93515  -0.00046   0.00395   0.00221   0.00615   1.94130
   A121       1.87853   0.00003  -0.00307  -0.00264  -0.00570   1.87283
   A122       1.95215   0.00015  -0.00068   0.00022  -0.00051   1.95164
   A123       1.88545   0.00019  -0.00295  -0.00197  -0.00490   1.88055
   A124       1.88839   0.00025   0.00166   0.00210   0.00374   1.89213
   A125       1.92328  -0.00015   0.00102  -0.00003   0.00099   1.92428
   A126       2.09636   0.00002  -0.00017  -0.00008  -0.00025   2.09611
   A127       2.09210  -0.00001   0.00011   0.00007   0.00018   2.09228
   A128       2.09473  -0.00001   0.00006   0.00001   0.00007   2.09479
   A129       2.09708   0.00004  -0.00001   0.00016   0.00015   2.09723
   A130       2.09023  -0.00003  -0.00014  -0.00024  -0.00039   2.08985
   A131       2.09587  -0.00001   0.00015   0.00008   0.00023   2.09611
   A132       2.09179   0.00000   0.00013   0.00008   0.00021   2.09200
   A133       2.09557   0.00000  -0.00006  -0.00005  -0.00011   2.09546
   A134       2.09582   0.00000  -0.00007  -0.00003  -0.00010   2.09573
   A135       2.09665   0.00001  -0.00013  -0.00003  -0.00017   2.09649
   A136       2.09199   0.00000   0.00015   0.00010   0.00026   2.09225
   A137       2.09454  -0.00001  -0.00002  -0.00007  -0.00009   2.09444
   A138       2.09700   0.00001  -0.00007   0.00000  -0.00008   2.09692
   A139       2.09182   0.00000   0.00004   0.00002   0.00006   2.09188
   A140       2.09437  -0.00001   0.00003  -0.00002   0.00002   2.09439
   A141       2.09100  -0.00001   0.00015   0.00008   0.00022   2.09122
   A142       2.09581   0.00000  -0.00010  -0.00006  -0.00016   2.09564
   A143       2.09638   0.00001  -0.00005  -0.00001  -0.00006   2.09632
   A144       2.04609   0.00027   0.00593   0.00512   0.01105   2.05715
   A145       2.11455  -0.00047  -0.00507  -0.00466  -0.00973   2.10482
   A146       2.11853   0.00020  -0.00103  -0.00050  -0.00154   2.11699
   A147       2.06860   0.00003  -0.00012  -0.00007  -0.00019   2.06842
   A148       2.10807  -0.00005   0.00265   0.00190   0.00455   2.11263
   A149       2.10648   0.00002  -0.00253  -0.00183  -0.00437   2.10212
   A150       2.06820  -0.00004   0.00185   0.00113   0.00298   2.07118
   A151       2.12001  -0.00034  -0.00099  -0.00138  -0.00238   2.11764
   A152       2.09495   0.00038  -0.00086   0.00025  -0.00060   2.09435
   A153       2.10541  -0.00007   0.00117   0.00075   0.00192   2.10733
   A154       2.08497   0.00010   0.00012   0.00045   0.00057   2.08554
   A155       2.09281  -0.00003  -0.00129  -0.00120  -0.00249   2.09032
   A156       2.10623  -0.00015  -0.00090  -0.00086  -0.00177   2.10447
   A157       2.08359   0.00004   0.00014   0.00007   0.00021   2.08380
   A158       2.09334   0.00011   0.00076   0.00080   0.00156   2.09490
   A159       1.94114   0.00002   0.00030   0.00010   0.00040   1.94154
   A160       1.92122   0.00003  -0.00031  -0.00007  -0.00037   1.92085
   A161       1.92484  -0.00017   0.00061  -0.00031   0.00030   1.92514
   A162       1.89235  -0.00004  -0.00118  -0.00105  -0.00223   1.89011
   A163       1.89573   0.00001  -0.00101  -0.00087  -0.00189   1.89384
   A164       1.88734   0.00016   0.00159   0.00224   0.00383   1.89117
   A165       1.93804   0.00000   0.00043   0.00056   0.00099   1.93903
   A166       1.92726  -0.00011  -0.00024  -0.00061  -0.00084   1.92641
   A167       1.92301  -0.00006  -0.00030  -0.00049  -0.00079   1.92222
   A168       1.89353   0.00011   0.00007   0.00062   0.00069   1.89422
   A169       1.88973   0.00007   0.00013   0.00039   0.00053   1.89025
   A170       1.89109   0.00000  -0.00010  -0.00046  -0.00056   1.89053
   A171       2.09925   0.00003  -0.00095  -0.00042  -0.00138   2.09788
   A172       2.09190  -0.00009  -0.00002  -0.00051  -0.00053   2.09137
   A173       2.09203   0.00007   0.00097   0.00093   0.00190   2.09393
    D1       -0.93083  -0.00010   0.03482   0.05101   0.08582  -0.84500
    D2       -3.05693   0.00077   0.02936   0.04936   0.07872  -2.97822
    D3        1.18059   0.00071   0.02913   0.05131   0.08043   1.26103
    D4        2.46622  -0.00010  -0.01763  -0.01729  -0.03492   2.43130
    D5       -1.75828  -0.00012  -0.02079  -0.02002  -0.04083  -1.79910
    D6        0.35672  -0.00020  -0.02199  -0.02166  -0.04365   0.31307
    D7       -2.06018   0.00005   0.00814   0.00751   0.01564  -2.04454
    D8        1.17634   0.00002   0.01021   0.00803   0.01825   1.19459
    D9        0.79839   0.00050  -0.02644  -0.03357  -0.06013   0.73826
   D10       -1.35498  -0.00016  -0.02751  -0.04010  -0.06773  -1.42271
   D11        2.88329   0.00032  -0.02378  -0.03556  -0.05945   2.82384
   D12       -2.35452  -0.00037  -0.04832  -0.09519  -0.14340  -2.49792
   D13        1.77530  -0.00103  -0.04940  -0.10171  -0.15100   1.62430
   D14       -0.26962  -0.00055  -0.04567  -0.09718  -0.14272  -0.41234
   D15        2.75408  -0.00084  -0.00180  -0.02574  -0.02771   2.72637
   D16       -1.40870  -0.00053  -0.00019  -0.02421  -0.02455  -1.43325
   D17        0.62944  -0.00036  -0.00133  -0.02394  -0.02540   0.60405
   D18       -0.37590   0.00007   0.02060   0.03752   0.05818  -0.31772
   D19        1.74450   0.00038   0.02221   0.03905   0.06133   1.80584
   D20       -2.50054   0.00055   0.02107   0.03931   0.06049  -2.44005
   D21       -0.06427   0.00052   0.00296   0.02409   0.02694  -0.03733
   D22        3.11009   0.00065   0.00019   0.01911   0.01921   3.12930
   D23        3.06574  -0.00037  -0.01935  -0.03897  -0.05840   3.00734
   D24       -0.04309  -0.00024  -0.02212  -0.04395  -0.06614  -0.10922
   D25       -1.23209   0.00056   0.00629   0.02251   0.02879  -1.20330
   D26        2.87306   0.00054   0.01388   0.02338   0.03726   2.91032
   D27        0.81216   0.00039   0.00972   0.02361   0.03333   0.84549
   D28        2.08979  -0.00007   0.01627   0.02908   0.04535   2.13514
   D29       -0.08824  -0.00009   0.02386   0.02995   0.05381  -0.03443
   D30       -2.14915  -0.00024   0.01970   0.03019   0.04989  -2.09926
   D31        0.17232  -0.00047   0.00316   0.00404   0.00718   0.17950
   D32       -3.03203  -0.00166  -0.00717  -0.00871  -0.01587  -3.04790
   D33        3.13107   0.00019  -0.00693  -0.00249  -0.00943   3.12164
   D34       -0.07328  -0.00099  -0.01727  -0.01524  -0.03248  -0.10576
   D35       -1.85834   0.00017   0.03100   0.04289   0.07388  -1.78445
   D36        2.28153   0.00022   0.03219   0.04084   0.07302   2.35455
   D37        0.18834   0.00032   0.03220   0.04405   0.07624   0.26458
   D38        1.11947  -0.00006   0.01713   0.01977   0.03691   1.15638
   D39       -1.02385  -0.00002   0.01831   0.01772   0.03605  -0.98780
   D40       -3.11704   0.00008   0.01832   0.02093   0.03926  -3.07778
   D41       -0.02759  -0.00035  -0.00460  -0.01928  -0.02386  -0.05145
   D42       -3.13868   0.00013  -0.00964  -0.00369  -0.01332   3.13118
   D43       -3.00206  -0.00010   0.00956   0.00433   0.01388  -2.98818
   D44        0.17002   0.00038   0.00452   0.01992   0.02442   0.19445
   D45       -3.11005   0.00052   0.01093   0.02209   0.03293  -3.07712
   D46       -0.00082   0.00036   0.01364   0.02691   0.04048   0.03966
   D47        0.09861   0.00006   0.00178  -0.00040   0.00128   0.09989
   D48       -3.07535  -0.00010   0.00449   0.00441   0.00884  -3.06651
   D49        0.45488  -0.00031  -0.00493  -0.00556  -0.01050   0.44438
   D50        2.57055  -0.00027  -0.00628  -0.00743  -0.01368   2.55687
   D51       -1.66647  -0.00025  -0.00625  -0.00661  -0.01281  -1.67928
   D52       -2.75551   0.00017   0.00455   0.01756   0.02202  -2.73349
   D53       -0.63984   0.00020   0.00320   0.01569   0.01884  -0.62100
   D54        1.40632   0.00023   0.00322   0.01651   0.01971   1.42603
   D55       -0.87364  -0.00016   0.02922   0.00507   0.03424  -0.83940
   D56        1.23827   0.00006   0.02691   0.00998   0.03687   1.27514
   D57       -3.01410  -0.00011   0.02771   0.00672   0.03441  -2.97969
   D58        1.32346   0.00011   0.02331   0.00708   0.03039   1.35385
   D59       -2.84782   0.00034   0.02100   0.01199   0.03302  -2.81480
   D60       -0.81700   0.00016   0.02180   0.00873   0.03056  -0.78644
   D61       -2.93112  -0.00003   0.02835   0.00559   0.03393  -2.89719
   D62       -0.81921   0.00019   0.02604   0.01050   0.03656  -0.78265
   D63        1.21161   0.00002   0.02684   0.00725   0.03410   1.24571
   D64       -1.02949  -0.00022   0.01596   0.02658   0.04253  -0.98696
   D65        1.11308  -0.00013   0.01708   0.02861   0.04568   1.15876
   D66       -3.13509  -0.00022   0.01523   0.02636   0.04158  -3.09351
   D67        3.03868   0.00011   0.02484   0.02397   0.04882   3.08750
   D68       -1.10194   0.00019   0.02596   0.02601   0.05197  -1.04997
   D69        0.93308   0.00011   0.02411   0.02376   0.04787   0.98094
   D70        1.02807   0.00011   0.01856   0.02511   0.04368   1.07175
   D71       -3.11255   0.00019   0.01968   0.02715   0.04684  -3.06572
   D72       -1.07753   0.00010   0.01783   0.02490   0.04273  -1.03480
   D73        3.11396   0.00035   0.00751   0.00024   0.00775   3.12171
   D74        1.00390   0.00023   0.00824   0.00129   0.00953   1.01343
   D75       -1.10563   0.00056   0.00893   0.00223   0.01116  -1.09447
   D76       -1.02697  -0.00110   0.00386   0.00165   0.00550  -1.02146
   D77       -3.13703  -0.00123   0.00459   0.00270   0.00729  -3.12974
   D78        1.03663  -0.00089   0.00528   0.00364   0.00892   1.04555
   D79        1.01687   0.00023   0.00298   0.00329   0.00628   1.02315
   D80       -1.09319   0.00010   0.00371   0.00434   0.00806  -1.08513
   D81        3.08047   0.00044   0.00440   0.00528   0.00969   3.09016
   D82        1.72259   0.00014  -0.02390   0.00577  -0.01818   1.70441
   D83       -1.35619   0.00132  -0.01353   0.01856   0.00500  -1.35119
   D84       -0.48763  -0.00037  -0.02191   0.00162  -0.02029  -0.50792
   D85        2.71678   0.00080  -0.01154   0.01441   0.00289   2.71966
   D86       -2.51661  -0.00087  -0.02330  -0.00006  -0.02334  -2.53995
   D87        0.68779   0.00031  -0.01293   0.01273  -0.00016   0.68763
   D88        1.73014   0.00025   0.00166   0.01170   0.01335   1.74349
   D89       -2.48088   0.00000   0.00500   0.01297   0.01797  -2.46292
   D90       -0.37164  -0.00018   0.00636   0.01228   0.01862  -0.35301
   D91       -0.37708   0.00011   0.00576   0.00879   0.01455  -0.36253
   D92        1.69508  -0.00014   0.00909   0.01006   0.01917   1.71425
   D93       -2.47886  -0.00032   0.01046   0.00937   0.01983  -2.45903
   D94       -2.43942   0.00034   0.00579   0.01315   0.01895  -2.42048
   D95       -0.36726   0.00009   0.00913   0.01442   0.02356  -0.34370
   D96        1.74199  -0.00010   0.01049   0.01373   0.02422   1.76621
   D97       -1.18179   0.00035  -0.00384  -0.00786  -0.01170  -1.19350
   D98        0.99352   0.00027  -0.00708  -0.00857  -0.01565   0.97788
   D99        3.04417   0.00036  -0.00601  -0.00693  -0.01294   3.03122
   D100       2.98209  -0.00021  -0.00654  -0.01038  -0.01692   2.96517
   D101      -1.12578  -0.00030  -0.00977  -0.01109  -0.02086  -1.14664
   D102       0.92486  -0.00021  -0.00871  -0.00945  -0.01816   0.90670
   D103       0.86359  -0.00003  -0.00533  -0.01022  -0.01555   0.84804
   D104       3.03890  -0.00012  -0.00857  -0.01093  -0.01950   3.01941
   D105      -1.19364  -0.00003  -0.00750  -0.00928  -0.01679  -1.21043
   D106      -1.04460   0.00037  -0.00545  -0.00494  -0.01039  -1.05500
   D107      -3.13279   0.00043  -0.00513  -0.00474  -0.00987   3.14053
   D108       1.06532   0.00042  -0.00477  -0.00453  -0.00930   1.05602
   D109       1.08651  -0.00029  -0.00590  -0.00717  -0.01308   1.07343
   D110      -1.00168  -0.00023  -0.00558  -0.00697  -0.01255  -1.01423
   D111      -3.08675  -0.00023  -0.00523  -0.00676  -0.01198  -3.09874
   D112      -3.10732  -0.00015  -0.00748  -0.00851  -0.01598  -3.12330
   D113       1.08768  -0.00009  -0.00715  -0.00830  -0.01546   1.07222
   D114      -0.99739  -0.00009  -0.00680  -0.00809  -0.01489  -1.01228
   D115       0.94232   0.00014  -0.00862  -0.00777  -0.01639   0.92592
   D116      -1.16620   0.00027  -0.00839  -0.00677  -0.01516  -1.18136
   D117       3.02801   0.00024  -0.00830  -0.00717  -0.01546   3.01254
   D118      -1.16682  -0.00020  -0.00992  -0.00815  -0.01807  -1.18489
   D119       3.00785  -0.00007  -0.00968  -0.00715  -0.01683   2.99102
   D120       0.91887  -0.00010  -0.00959  -0.00755  -0.01714   0.90173
   D121       3.03930  -0.00012  -0.00854  -0.00704  -0.01558   3.02373
   D122       0.93079   0.00000  -0.00831  -0.00604  -0.01434   0.91644
   D123      -1.15819  -0.00003  -0.00822  -0.00643  -0.01465  -1.17284
   D124      -1.04416   0.00017  -0.02672  -0.03345  -0.06018  -1.10434
   D125       1.11224   0.00014  -0.02671  -0.03327  -0.05998   1.05226
   D126       3.13632   0.00012  -0.02781  -0.03444  -0.06225   3.07407
   D127       3.07186  -0.00012  -0.02541  -0.03654  -0.06195   3.00991
   D128      -1.05492  -0.00014  -0.02540  -0.03636  -0.06175  -1.11667
   D129       0.96915  -0.00016  -0.02650  -0.03753  -0.06402   0.90513
   D130       1.04104  -0.00014  -0.02614  -0.03847  -0.06461   0.97643
   D131      -3.08574  -0.00016  -0.02612  -0.03829  -0.06441   3.13303
   D132      -1.06167  -0.00018  -0.02723  -0.03946  -0.06668  -1.12835
   D133      -1.44068  -0.00002  -0.00296  -0.00900  -0.01196  -1.45263
   D134       1.70594   0.00000  -0.00335  -0.00896  -0.01230   1.69364
   D135       2.70112  -0.00005  -0.00171  -0.00841  -0.01013   2.69099
   D136      -0.43545  -0.00004  -0.00209  -0.00837  -0.01047  -0.44592
   D137       0.64472  -0.00010  -0.00078  -0.00819  -0.00897   0.63575
   D138      -2.49185  -0.00009  -0.00116  -0.00816  -0.00932  -2.50116
   D139       0.79745   0.00001  -0.01100  -0.01471  -0.02571   0.77174
   D140       2.89282  -0.00001  -0.00938  -0.01281  -0.02217   2.87065
   D141      -1.32942  -0.00010  -0.01259  -0.01521  -0.02776  -1.35718
   D142      -1.32682   0.00010  -0.01180  -0.01470  -0.02651  -1.35333
   D143       0.76855   0.00008  -0.01017  -0.01280  -0.02297   0.74558
   D144       2.82950  -0.00001  -0.01338  -0.01521  -0.02856   2.80093
   D145       2.91030  -0.00011  -0.01088  -0.01444  -0.02536   2.88494
   D146      -1.27752  -0.00012  -0.00926  -0.01253  -0.02182  -1.29934
   D147       0.78343  -0.00021  -0.01246  -0.01494  -0.02741   0.75602
   D148      -0.83065  -0.00011   0.00363  -0.00122   0.00250  -0.82815
   D149      -2.93896   0.00001   0.00461   0.00043   0.00508  -2.93388
   D150       1.29607  -0.00004   0.00382  -0.00111   0.00273   1.29880
   D151      -2.92165  -0.00012   0.00284  -0.00275   0.00014  -2.92151
   D152       1.25323   0.00000   0.00381  -0.00110   0.00272   1.25595
   D153      -0.79493  -0.00005   0.00302  -0.00264   0.00037  -0.79456
   D154       1.29868  -0.00035   0.00524  -0.00170   0.00357   1.30225
   D155      -0.80963  -0.00023   0.00621  -0.00006   0.00615  -0.80348
   D156      -2.85779  -0.00028   0.00542  -0.00160   0.00380  -2.85398
   D157      -1.22344   0.00007   0.01256   0.01835   0.03091  -1.19253
   D158       1.93698   0.00006   0.01168   0.01656   0.02825   1.96522
   D159       2.91826   0.00005   0.01353   0.01835   0.03188   2.95013
   D160      -0.20451   0.00003   0.01265   0.01656   0.02921  -0.17530
   D161       0.86126   0.00004   0.01399   0.01972   0.03370   0.89496
   D162      -2.26150   0.00002   0.01311   0.01793   0.03104  -2.23047
   D163      -3.13655   0.00001  -0.00038   0.00000  -0.00038  -3.13693
   D164       0.00461   0.00001  -0.00057  -0.00029  -0.00086   0.00376
   D165       0.00007   0.00000  -0.00001  -0.00003  -0.00004   0.00004
   D166       3.14124  -0.00001  -0.00019  -0.00033  -0.00051   3.14072
   D167       3.13748  -0.00002   0.00034  -0.00010   0.00024   3.13772
   D168      -0.00175  -0.00002  -0.00041  -0.00082  -0.00123  -0.00299
   D169       0.00087   0.00000  -0.00003  -0.00006  -0.00010   0.00077
   D170      -3.13837   0.00000  -0.00079  -0.00078  -0.00157  -3.13994
   D171      -3.12299  -0.00002  -0.00166  -0.00241  -0.00407  -3.12706
   D172       0.02610  -0.00004  -0.00247  -0.00359  -0.00606   0.02004
   D173       0.00002  -0.00001  -0.00080  -0.00065  -0.00145  -0.00142
   D174      -3.13408  -0.00003  -0.00161  -0.00182  -0.00343  -3.13751
   D175       3.12147   0.00002   0.00157   0.00234   0.00391   3.12538
   D176      -0.01816   0.00001   0.00131   0.00166   0.00297  -0.01519
   D177      -0.00151   0.00001   0.00071   0.00057   0.00128  -0.00023
   D178      -3.14113  -0.00001   0.00045  -0.00011   0.00034  -3.14079
   D179       2.74413   0.00025  -0.00901   0.01771   0.00869   2.75282
   D180       0.68965   0.00037  -0.00577   0.02084   0.01507   0.70472
   D181      -1.39227   0.00031  -0.00628   0.02081   0.01455  -1.37772
   D182      -0.42666  -0.00021  -0.00416   0.00278  -0.00140  -0.42806
   D183      -2.48114  -0.00009  -0.00093   0.00591   0.00498  -2.47616
   D184       1.72013  -0.00015  -0.00143   0.00588   0.00447   1.72459
   D185      -0.00084   0.00000   0.00004   0.00014   0.00018  -0.00066
   D186       3.14013   0.00000  -0.00001   0.00000  -0.00001   3.14012
   D187       3.14118   0.00001   0.00022   0.00044   0.00066  -3.14135
   D188      -0.00104   0.00001   0.00017   0.00030   0.00047  -0.00057
   D189      -0.00104   0.00000   0.00004   0.00005   0.00009  -0.00095
   D190       3.13921   0.00001  -0.00033  -0.00010  -0.00044   3.13877
   D191       3.13820   0.00000   0.00080   0.00076   0.00156   3.13976
   D192      -0.00474   0.00001   0.00042   0.00061   0.00103  -0.00370
   D193       0.00155   0.00000   0.00023   0.00022   0.00045   0.00200
   D194      -3.13849   0.00001   0.00028   0.00030   0.00058  -3.13792
   D195       3.13562   0.00002   0.00105   0.00140   0.00245   3.13807
   D196      -0.00442   0.00003   0.00109   0.00148   0.00257  -0.00185
   D197       0.00142   0.00000  -0.00005  -0.00007  -0.00012   0.00130
   D198      -3.13987  -0.00001  -0.00018  -0.00034  -0.00052  -3.14038
   D199       3.14104   0.00001   0.00021   0.00062   0.00083  -3.14132
   D200      -0.00025   0.00001   0.00008   0.00035   0.00043   0.00018
   D201       0.00067   0.00000  -0.00003  -0.00016  -0.00019   0.00049
   D202       3.14142  -0.00001  -0.00007  -0.00021  -0.00028   3.14114
   D203      -3.14029   0.00000   0.00002  -0.00002   0.00000  -3.14029
   D204       0.00045   0.00000  -0.00002  -0.00007  -0.00010   0.00036
   D205       0.00026   0.00000  -0.00001   0.00006   0.00005   0.00032
   D206      -3.14049   0.00000   0.00003   0.00012   0.00015  -3.14034
   D207      -3.13998   0.00000   0.00037   0.00022   0.00058  -3.13940
   D208       0.00246   0.00000   0.00041   0.00027   0.00068   0.00314
   D209      -0.00164   0.00000   0.00043   0.00029   0.00072  -0.00092
   D210       3.13968   0.00002   0.00022   0.00057   0.00079   3.14048
   D211       3.13840   0.00000   0.00039   0.00021   0.00060   3.13900
   D212      -0.00346   0.00001   0.00017   0.00050   0.00067  -0.00279
   D213       0.00016   0.00000  -0.00052  -0.00036  -0.00089  -0.00073
   D214      -3.14117  -0.00002  -0.00031  -0.00065  -0.00096   3.14106
   D215       3.14145   0.00001  -0.00040  -0.00009  -0.00049   3.14096
   D216       0.00012  -0.00001  -0.00018  -0.00038  -0.00056  -0.00044
   D217      -3.05632   0.00003   0.00417   0.00284   0.00704  -3.04928
   D218       0.07803   0.00001   0.00443   0.00256   0.00701   0.08503
   D219      -0.00989   0.00001   0.00187   0.00208   0.00394  -0.00594
   D220       3.12446  -0.00001   0.00212   0.00180   0.00391   3.12837
   D221       3.05985   0.00000  -0.00282  -0.00176  -0.00456   3.05529
   D222      -0.07490  -0.00003  -0.00230  -0.00285  -0.00512  -0.08002
   D223       0.01714  -0.00002  -0.00100  -0.00152  -0.00252   0.01462
   D224      -3.11761  -0.00006  -0.00048  -0.00260  -0.00308  -3.12070
   D225      -0.00470   0.00001  -0.00139  -0.00101  -0.00240  -0.00710
   D226       3.13907   0.00000  -0.00161  -0.00140  -0.00301   3.13606
   D227      -3.13905   0.00003  -0.00167  -0.00074  -0.00240  -3.14146
   D228       0.00471   0.00002  -0.00189  -0.00113  -0.00302   0.00170
   D229      -2.95285   0.00004  -0.00592  -0.00328  -0.00920  -2.96205
   D230       1.23262   0.00006  -0.00444  -0.00198  -0.00641   1.22620
   D231      -0.84847  -0.00005  -0.00659  -0.00452  -0.01111  -0.85958
   D232       0.18134   0.00002  -0.00565  -0.00357  -0.00922   0.17212
   D233      -1.91637   0.00004  -0.00416  -0.00227  -0.00643  -1.92281
   D234       2.28572  -0.00007  -0.00632  -0.00481  -0.01113   2.27459
   D235      -0.01000   0.00002  -0.00033  -0.00012  -0.00044  -0.01045
   D236       3.13861  -0.00002  -0.00060  -0.00117  -0.00177   3.13684
   D237       3.12485   0.00004  -0.00085   0.00094   0.00010   3.12495
   D238      -0.00971   0.00001  -0.00112  -0.00011  -0.00123  -0.01094
   D239       2.80650   0.00004   0.00590   0.00854   0.01444   2.82095
   D240       0.70532  -0.00002   0.00568   0.00781   0.01349   0.71881
   D241      -1.38308   0.00009   0.00615   0.00908   0.01522  -1.36785
   D242      -0.32815   0.00001   0.00642   0.00744   0.01386  -0.31429
   D243      -2.42933  -0.00005   0.00620   0.00671   0.01291  -2.41642
   D244       1.76545   0.00006   0.00667   0.00797   0.01464   1.78010
   D245       0.01173  -0.00002   0.00011  -0.00058  -0.00048   0.01124
   D246      -3.13399   0.00000  -0.00071  -0.00053  -0.00124  -3.13522
   D247      -3.13205  -0.00001   0.00033  -0.00019   0.00013  -3.13192
   D248       0.00542   0.00001  -0.00049  -0.00013  -0.00062   0.00480
   D249      -0.00420   0.00001   0.00078   0.00117   0.00194  -0.00226
   D250       3.14152  -0.00001   0.00159   0.00111   0.00270  -3.13897
   D251       3.13033   0.00004   0.00105   0.00222   0.00327   3.13361
   D252      -0.00714   0.00003   0.00187   0.00217   0.00403  -0.00310
         Item               Value     Threshold  Converged?
 Maximum Force            0.002528     0.000450     NO 
 RMS     Force            0.000336     0.000300     NO 
 Maximum Displacement     0.772452     0.001800     NO 
 RMS     Displacement     0.134640     0.001200     NO 
 Predicted change in Energy=-8.032199D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.142729   -0.035464   -1.455357
      2          8           0       -3.411265    0.217915   -2.453852
      3          8           0       -3.093662   -2.157025    1.478639
      4          8           0        2.111949    1.993881    2.178052
      5          8           0        3.533948   -1.170431    1.374600
      6          7           0       -2.989902   -2.540411   -0.802930
      7          7           0       -3.135570    0.453262   -0.186261
      8          7           0        2.106683    0.877923    0.168297
      9          7           0       -1.480025   -3.611546    0.746742
     10          6           0       -2.695802    1.830682   -0.237376
     11          6           0       -4.111717   -1.658007   -1.024560
     12          6           0       -1.357188    2.019839   -0.978045
     13          6           0       -0.267479    1.046587   -0.537954
     14          6           0       -5.071535   -2.085100   -2.153807
     15          6           0        1.127171    1.728348   -0.467660
     16          6           0       -2.594453    2.454092    1.168759
     17          6           0       -3.555509   -0.232926   -1.300239
     18          6           0       -2.281757   -3.082335   -1.937519
     19          6           0       -0.845206   -3.497516   -1.631250
     20          6           0        1.559582    2.144282   -1.885552
     21          6           0       -2.548602   -2.754212    0.513674
     22          6           0       -6.211007   -1.086975   -2.254738
     23          6           0       -5.638718   -3.466193   -1.896329
     24          6           0       -0.764993   -4.262456   -0.311787
     25          6           0       -3.880795    2.370790    1.911931
     26          6           0        2.801041    2.963453   -1.890484
     27          6           0        2.517476    1.050703    1.464995
     28          6           0       -4.877587    3.331513    1.703028
     29          6           0       -4.104710    1.337174    2.829081
     30          6           0        2.793932    4.260295   -1.361205
     31          6           0        3.984066    2.456536   -2.440442
     32          6           0        3.550099    0.089911    2.054924
     33          6           0       -6.081130    3.259152    2.401756
     34          6           0       -5.310239    1.266709    3.526076
     35          6           0       -6.299426    2.226661    3.313996
     36          6           0        3.951549    5.035286   -1.380723
     37          6           0        5.141022    3.234318   -2.460852
     38          6           0        5.127173    4.523967   -1.931091
     39          6           0        4.799384   -1.706414    1.148387
     40          6           0        5.209771   -1.884233   -0.186846
     41          6           0        5.584689   -2.163071    2.220247
     42          6           0        6.428101   -2.523223   -0.430627
     43          6           0        6.804965   -2.789818    1.939762
     44          6           0        4.369684   -1.415431   -1.313038
     45          6           0        5.141383   -1.999797    3.624452
     46          6           0        7.223778   -2.967179    0.624811
     47          1           0       -3.473096    2.413035   -0.823169
     48          1           0       -4.725251   -1.616876   -0.068729
     49          1           0       -1.544941    1.884683   -2.078052
     50          1           0       -1.019815    3.074896   -0.818062
     51          1           0       -0.521224    0.629855    0.478964
     52          1           0       -4.506297   -2.083279   -3.127363
     53          1           0        1.009662    2.659008    0.166200
     54          1           0       -3.292046    0.052452    0.714538
     55          1           0       -1.775648    1.949869    1.748391
     56          1           0       -2.299296    3.530095    1.046678
     57          1           0       -2.845136   -3.981146   -2.326183
     58          1           0       -2.275796   -2.302834   -2.754851
     59          1           0       -0.475473   -4.151803   -2.460627
     60          1           0       -0.183146   -2.592529   -1.589695
     61          1           0        1.686507    1.224045   -2.516748
     62          1           0        0.720395    2.739132   -2.335482
     63          1           0       -6.785921   -1.045617   -1.298888
     64          1           0       -6.906772   -1.393416   -3.072436
     65          1           0       -5.823096   -0.066264   -2.488719
     66          1           0       -6.097419   -3.518588   -0.879530
     67          1           0       -4.851904   -4.253289   -1.968444
     68          1           0       -6.428571   -3.696856   -2.652328
     69          1           0        0.315804   -4.362436   -0.005860
     70          1           0       -1.176766   -5.303575   -0.460747
     71          1           0        2.355361    0.042163   -0.309894
     72          1           0       -1.236452   -3.790590    1.690815
     73          1           0       -1.033961   -0.372334   -1.620540
     74          1           0       -4.707302    4.146529    0.984339
     75          1           0       -3.328136    0.576394    3.003488
     76          1           0        1.869229    4.664531   -0.923716
     77          1           0        4.001049    1.439570   -2.859663
     78          1           0        3.266033   -0.103770    3.123442
     79          1           0        4.558115    0.578310    2.003688
     80          1           0       -6.858782    4.018143    2.233394
     81          1           0       -5.479079    0.449739    4.242958
     82          1           0       -7.249020    2.170404    3.865237
     83          1           0        3.937845    6.051135   -0.959857
     84          1           0        6.065772    2.828572   -2.895892
     85          1           0        6.039852    5.136547   -1.947025
     86          1           0        6.762015   -2.675371   -1.468145
     87          1           0        7.431653   -3.148039    2.770413
     88          1           0        4.752331   -1.798251   -2.290062
     89          1           0        4.367444   -0.295913   -1.350577
     90          1           0        3.314961   -1.765767   -1.182742
     91          1           0        5.697780   -2.689868    4.304712
     92          1           0        4.047591   -2.216441    3.715294
     93          1           0        5.321425   -0.949185    3.965616
     94          1           0        8.183234   -3.463144    0.415735
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0844675      0.0406737      0.0353921
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3227.8834236676 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.244237422141     A.U. after   15 cycles
             Convg  =    0.3808D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000739382    0.000955024   -0.000296694
      2        8          -0.000894561   -0.000864725    0.001603222
      3        8          -0.001174055    0.001880672   -0.002179667
      4        8           0.000471974   -0.000507381    0.000543264
      5        8          -0.001315181   -0.000672048    0.000371356
      6        7           0.001795191    0.003679300    0.004405790
      7        7          -0.002088406    0.000458937   -0.000273049
      8        7          -0.000814326   -0.001529180    0.000189095
      9        7           0.000919509    0.001661768    0.000641898
     10        6           0.001198973   -0.000795957   -0.000037335
     11        6          -0.002261539   -0.000081255   -0.001152701
     12        6           0.000317338    0.000438220   -0.000161566
     13        6          -0.001478763    0.001433515    0.002107163
     14        6          -0.000623456   -0.000090347   -0.000042429
     15        6           0.000809982   -0.000509313   -0.000927964
     16        6          -0.000191817    0.000483930    0.000183345
     17        6           0.000052971   -0.000070371   -0.001863090
     18        6           0.000179879   -0.000734213   -0.000661656
     19        6           0.000351519   -0.000284984    0.000238168
     20        6           0.000549082   -0.001075647    0.000029955
     21        6           0.000989918   -0.003378124    0.000429169
     22        6           0.000777216   -0.000293711   -0.000117402
     23        6          -0.000059886   -0.000081204   -0.000180186
     24        6          -0.000344693   -0.000649283   -0.000739579
     25        6           0.000213381   -0.000547033   -0.000108833
     26        6          -0.000044269    0.000580967    0.000373869
     27        6           0.000021033    0.001116965   -0.000461683
     28        6          -0.000002831    0.000160460   -0.000151665
     29        6          -0.000215350    0.000173464   -0.000127988
     30        6           0.000150215   -0.000086452    0.000108017
     31        6          -0.000176246    0.000025687   -0.000134135
     32        6          -0.000353130   -0.000819405   -0.000012282
     33        6           0.000154489   -0.000004108    0.000005558
     34        6          -0.000250228   -0.000069618   -0.000002375
     35        6           0.000071878    0.000020902   -0.000005234
     36        6           0.000123655    0.000000974    0.000155599
     37        6          -0.000132703    0.000034080   -0.000119248
     38        6          -0.000037165   -0.000006761    0.000044288
     39        6           0.000086083    0.000091898    0.000394204
     40        6          -0.001547910    0.000076216    0.000519893
     41        6           0.001905235    0.000727290   -0.001418903
     42        6           0.001524419   -0.000512178   -0.000009906
     43        6          -0.000558047    0.000505041   -0.000513857
     44        6           0.000398823    0.000454630   -0.000744422
     45        6           0.000011671   -0.000412538    0.000583690
     46        6          -0.000783749   -0.000333106    0.000876552
     47        1          -0.000384354   -0.000593030   -0.000359170
     48        1           0.001023883    0.000668200    0.000869786
     49        1           0.000119706   -0.000073850    0.000429472
     50        1          -0.000343016    0.000210900   -0.000865923
     51        1           0.000989379   -0.000084814   -0.000315199
     52        1          -0.000285646   -0.000037858    0.000101866
     53        1           0.000372830   -0.000069558   -0.000504225
     54        1           0.000817794    0.000161115   -0.000356405
     55        1           0.000062008    0.000466401   -0.000039781
     56        1          -0.000361575   -0.000333966    0.000420709
     57        1           0.000094648    0.000117011   -0.000402129
     58        1           0.000058214   -0.000707777    0.000070257
     59        1           0.000276186    0.000239606    0.000133822
     60        1          -0.000662150   -0.000165458   -0.000785580
     61        1          -0.000009582   -0.000258967    0.000070583
     62        1          -0.000501652    0.000081392   -0.000069706
     63        1          -0.000009987    0.000165010   -0.000205399
     64        1          -0.000050456    0.000089115    0.000236385
     65        1           0.000152532   -0.000316994   -0.000177242
     66        1          -0.000057814    0.000122850   -0.000109777
     67        1           0.000228589   -0.000063786   -0.000081290
     68        1          -0.000124299    0.000004936    0.000035002
     69        1           0.000176874    0.000124260    0.000078744
     70        1          -0.000182991    0.000136449    0.000244341
     71        1           0.000194202    0.000326581    0.000460892
     72        1          -0.000215439   -0.000619898   -0.000209339
     73        1           0.000197438   -0.001006309    0.000481771
     74        1          -0.000089315   -0.000154710    0.000019216
     75        1           0.000449299   -0.000022509    0.000270780
     76        1          -0.000158330    0.000121212   -0.000080854
     77        1           0.000056366    0.000108106    0.000162130
     78        1           0.000441465    0.000443594   -0.000520210
     79        1          -0.000424578    0.000578129   -0.000143606
     80        1          -0.000119216    0.000002048   -0.000013733
     81        1           0.000051357    0.000067915   -0.000031864
     82        1          -0.000054870    0.000081913   -0.000024948
     83        1          -0.000066698   -0.000028411   -0.000109848
     84        1           0.000084568   -0.000070793    0.000045281
     85        1           0.000039347   -0.000072951   -0.000054498
     86        1          -0.000079900   -0.000089409    0.000044081
     87        1           0.000033474    0.000008950    0.000038524
     88        1           0.000180179   -0.000135413    0.000296313
     89        1          -0.000125969   -0.000029896   -0.000067821
     90        1          -0.000020581    0.000131218   -0.000187580
     91        1           0.000146794   -0.000037951    0.000017510
     92        1          -0.000209515    0.000094234    0.000060737
     93        1          -0.000146704   -0.000109252   -0.000181362
     94        1          -0.000028003   -0.000018578   -0.000050957
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004405790 RMS     0.000704111

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003881583 RMS     0.000519056
 Search for a local minimum.
 Step number  15 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   14   15
 DE= -5.65D-04 DEPred=-8.03D-04 R= 7.03D-01
 SS=  1.41D+00  RLast= 5.05D-01 DXNew= 8.4853D-01 1.5136D+00
 Trust test= 7.03D-01 RLast= 5.05D-01 DXMaxT set to 8.49D-01
     Eigenvalues ---    0.00159   0.00206   0.00230   0.00235   0.00236
     Eigenvalues ---    0.00241   0.00254   0.00312   0.00343   0.00400
     Eigenvalues ---    0.00431   0.00443   0.00479   0.00486   0.00527
     Eigenvalues ---    0.00611   0.00671   0.00788   0.00957   0.01096
     Eigenvalues ---    0.01258   0.01323   0.01371   0.01392   0.01399
     Eigenvalues ---    0.01435   0.01441   0.01463   0.01536   0.01544
     Eigenvalues ---    0.01935   0.02019   0.02061   0.02084   0.02112
     Eigenvalues ---    0.02119   0.02137   0.02141   0.02148   0.02151
     Eigenvalues ---    0.02155   0.02161   0.02169   0.02171   0.02172
     Eigenvalues ---    0.02174   0.02176   0.02177   0.02179   0.02180
     Eigenvalues ---    0.02182   0.02183   0.02187   0.02188   0.02189
     Eigenvalues ---    0.02296   0.02488   0.02695   0.03089   0.03414
     Eigenvalues ---    0.03444   0.03699   0.03779   0.03885   0.03956
     Eigenvalues ---    0.04045   0.04278   0.04325   0.04389   0.04611
     Eigenvalues ---    0.04788   0.04830   0.04923   0.05032   0.05103
     Eigenvalues ---    0.05130   0.05376   0.05395   0.05403   0.05487
     Eigenvalues ---    0.05542   0.05574   0.05609   0.05617   0.05664
     Eigenvalues ---    0.05771   0.05939   0.06114   0.06755   0.07055
     Eigenvalues ---    0.07101   0.07112   0.07249   0.07370   0.07528
     Eigenvalues ---    0.07797   0.08037   0.08282   0.08490   0.09140
     Eigenvalues ---    0.09284   0.09411   0.09558   0.10993   0.11579
     Eigenvalues ---    0.12323   0.12407   0.12746   0.12872   0.14064
     Eigenvalues ---    0.15790   0.15806   0.15862   0.15957   0.15996
     Eigenvalues ---    0.15998   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16003   0.16006   0.16008
     Eigenvalues ---    0.16013   0.16028   0.16094   0.16180   0.16500
     Eigenvalues ---    0.16677   0.16913   0.17131   0.17543   0.18789
     Eigenvalues ---    0.19053   0.19755   0.20153   0.20652   0.21709
     Eigenvalues ---    0.21862   0.21951   0.21996   0.22000   0.22000
     Eigenvalues ---    0.22000   0.22062   0.22178   0.22454   0.23183
     Eigenvalues ---    0.23343   0.23474   0.23499   0.23582   0.23972
     Eigenvalues ---    0.24550   0.24809   0.24959   0.24992   0.25010
     Eigenvalues ---    0.25012   0.25028   0.25135   0.25138   0.25458
     Eigenvalues ---    0.26270   0.26678   0.26862   0.27057   0.27424
     Eigenvalues ---    0.27803   0.27902   0.28386   0.28546   0.28658
     Eigenvalues ---    0.29197   0.29810   0.30074   0.30199   0.30625
     Eigenvalues ---    0.31778   0.32450   0.32945   0.33552   0.34322
     Eigenvalues ---    0.34425   0.34464   0.34512   0.34603   0.34633
     Eigenvalues ---    0.34653   0.34679   0.34699   0.34708   0.34721
     Eigenvalues ---    0.34734   0.34736   0.34744   0.34748   0.34751
     Eigenvalues ---    0.34762   0.34774   0.34780   0.34791   0.34799
     Eigenvalues ---    0.34808   0.34817   0.34827   0.34832   0.34848
     Eigenvalues ---    0.34856   0.34872   0.34900   0.35036   0.35483
     Eigenvalues ---    0.35808   0.35881   0.35896   0.35919   0.35941
     Eigenvalues ---    0.35968   0.35983   0.35988   0.36000   0.36003
     Eigenvalues ---    0.36025   0.36033   0.36060   0.36750   0.37581
     Eigenvalues ---    0.38270   0.39490   0.41282   0.42142   0.42229
     Eigenvalues ---    0.42263   0.42336   0.42491   0.42812   0.44877
     Eigenvalues ---    0.45639   0.45806   0.45967   0.46069   0.46087
     Eigenvalues ---    0.46136   0.46221   0.46340   0.46422   0.46760
     Eigenvalues ---    0.46764   0.46907   0.47016   0.47217   0.47831
     Eigenvalues ---    0.48864   0.51305   0.53041   0.55424   0.55979
     Eigenvalues ---    0.58066   0.64557   0.90403   0.90755   0.93736
     Eigenvalues ---    0.991641000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    15   14   13   12
 RFO step:  Lambda=-2.31973928D-04.
 DIIS coeffs:      1.03555     -0.01143     -0.37621      0.35208
 Iteration  1 RMS(Cart)=  0.09822699 RMS(Int)=  0.00119835
 Iteration  2 RMS(Cart)=  0.00299057 RMS(Int)=  0.00009649
 Iteration  3 RMS(Cart)=  0.00000190 RMS(Int)=  0.00009649
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00009649
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69113   0.00050   0.00001  -0.00067  -0.00066   2.69047
    R2        1.82734  -0.00058  -0.00017   0.00053   0.00036   1.82769
    R3        2.35640   0.00185   0.00009   0.00115   0.00124   2.35763
    R4        2.37901   0.00305   0.00008   0.00190   0.00199   2.38100
    R5        2.36215  -0.00077  -0.00015   0.00030   0.00015   2.36230
    R6        2.70671  -0.00025   0.00005   0.00032   0.00037   2.70707
    R7        2.63193   0.00040   0.00011   0.00024   0.00035   2.63228
    R8        2.72948   0.00220   0.00041   0.00477   0.00518   2.73466
    R9        2.72700  -0.00004  -0.00005   0.00146   0.00149   2.72849
   R10        2.65498   0.00095  -0.00013   0.00306   0.00301   2.65799
   R11        2.73410   0.00008   0.00048  -0.00231  -0.00183   2.73227
   R12        2.59667   0.00018   0.00015  -0.00114  -0.00099   2.59568
   R13        1.88648   0.00062  -0.00027   0.00357   0.00331   1.88979
   R14        2.73005  -0.00105  -0.00024   0.00119   0.00095   2.73100
   R15        2.59108   0.00047   0.00004   0.00034   0.00038   2.59147
   R16        1.87930   0.00050   0.00011   0.00028   0.00040   1.87970
   R17        2.62611   0.00010   0.00006  -0.00125  -0.00117   2.62494
   R18        2.70926  -0.00038  -0.00039   0.00157   0.00111   2.71038
   R19        1.87327  -0.00024  -0.00008  -0.00002  -0.00010   1.87317
   R20        2.91304   0.00033   0.00056  -0.00242  -0.00185   2.91118
   R21        2.91295  -0.00033   0.00008  -0.00087  -0.00080   2.91216
   R22        2.14338   0.00033   0.00020  -0.00097  -0.00077   2.14261
   R23        2.91463  -0.00053   0.00037  -0.00368  -0.00332   2.91131
   R24        2.93743   0.00169   0.00054   0.00372   0.00427   2.94170
   R25        2.14775  -0.00017  -0.00015   0.00040   0.00025   2.14801
   R26        2.88353   0.00052   0.00023  -0.00170  -0.00146   2.88207
   R27        2.12418   0.00036   0.00014  -0.00085  -0.00071   2.12347
   R28        2.11494   0.00059   0.00019   0.00018   0.00036   2.11530
   R29        2.93656   0.00196   0.00136  -0.00325  -0.00189   2.93467
   R30        2.13143   0.00041   0.00009   0.00052   0.00062   2.13205
   R31        2.86892  -0.00084  -0.00013  -0.00001  -0.00013   2.86879
   R32        2.86305  -0.00017  -0.00017   0.00094   0.00077   2.86382
   R33        2.12735   0.00006   0.00005  -0.00047  -0.00042   2.12693
   R34        2.90944   0.00078   0.00062  -0.00150  -0.00087   2.90857
   R35        2.13941   0.00030   0.00006   0.00007   0.00012   2.13953
   R36        2.81177  -0.00031  -0.00003  -0.00017  -0.00020   2.81157
   R37        2.12176   0.00008   0.00000   0.00001   0.00001   2.12178
   R38        2.12105   0.00020   0.00006  -0.00019  -0.00013   2.12091
   R39        2.88445   0.00035   0.00003   0.00081   0.00084   2.88529
   R40        2.13490  -0.00026  -0.00005  -0.00053  -0.00058   2.13432
   R41        2.13438   0.00050   0.00014  -0.00032  -0.00018   2.13420
   R42        2.88612   0.00003  -0.00011  -0.00029  -0.00051   2.88561
   R43        2.11503   0.00015  -0.00001  -0.00003  -0.00004   2.11498
   R44        2.12041   0.00064   0.00003   0.00079   0.00082   2.12123
   R45        2.81073  -0.00074  -0.00019   0.00030   0.00011   2.81084
   R46        2.12235   0.00004  -0.00001   0.00013   0.00012   2.12247
   R47        2.12165   0.00049   0.00017  -0.00051  -0.00034   2.12131
   R48        2.10930   0.00026   0.00008  -0.00031  -0.00023   2.10907
   R49        2.10992   0.00024   0.00007  -0.00016  -0.00010   2.10983
   R50        2.11030   0.00028   0.00008  -0.00029  -0.00021   2.11009
   R51        2.11027   0.00016   0.00004  -0.00026  -0.00021   2.11006
   R52        2.10753   0.00019   0.00007  -0.00033  -0.00026   2.10727
   R53        2.11160   0.00010   0.00003  -0.00030  -0.00027   2.11133
   R54        2.13105   0.00006  -0.00004  -0.00006  -0.00011   2.13094
   R55        2.13436   0.00021   0.00012  -0.00087  -0.00075   2.13361
   R56        2.64577   0.00011   0.00003   0.00007   0.00010   2.64586
   R57        2.64539   0.00022   0.00005   0.00005   0.00010   2.64549
   R58        2.64696  -0.00003  -0.00002   0.00008   0.00006   2.64702
   R59        2.64492  -0.00014  -0.00001  -0.00007  -0.00008   2.64484
   R60        2.88915  -0.00082  -0.00001   0.00013   0.00012   2.88927
   R61        2.63342   0.00003  -0.00002   0.00009   0.00006   2.63349
   R62        2.07850   0.00018   0.00006  -0.00022  -0.00017   2.07833
   R63        2.63484   0.00014  -0.00002   0.00031   0.00029   2.63513
   R64        2.08065   0.00048   0.00004   0.00073   0.00077   2.08142
   R65        2.63281   0.00006  -0.00003   0.00016   0.00013   2.63294
   R66        2.07859   0.00022   0.00006  -0.00016  -0.00010   2.07850
   R67        2.63473   0.00008  -0.00003   0.00022   0.00019   2.63493
   R68        2.07892   0.00019   0.00006  -0.00018  -0.00012   2.07880
   R69        2.12116   0.00075   0.00020   0.00073   0.00093   2.12208
   R70        2.11890  -0.00060  -0.00021  -0.00024  -0.00045   2.11845
   R71        2.63607   0.00001  -0.00003   0.00007   0.00004   2.63610
   R72        2.07797   0.00012   0.00004  -0.00021  -0.00018   2.07780
   R73        2.63546  -0.00004  -0.00004   0.00007   0.00003   2.63549
   R74        2.07859   0.00009   0.00002  -0.00018  -0.00015   2.07843
   R75        2.07763   0.00010   0.00002  -0.00010  -0.00008   2.07755
   R76        2.63645  -0.00002  -0.00004   0.00018   0.00013   2.63658
   R77        2.07807   0.00013   0.00003  -0.00013  -0.00010   2.07797
   R78        2.63482  -0.00003  -0.00004   0.00012   0.00008   2.63489
   R79        2.07789   0.00012   0.00003  -0.00012  -0.00009   2.07779
   R80        2.07740   0.00010   0.00001  -0.00004  -0.00003   2.07738
   R81        2.66102  -0.00013   0.00013  -0.00196  -0.00183   2.65919
   R82        2.65513   0.00129   0.00028   0.00130   0.00158   2.65671
   R83        2.64026   0.00082   0.00018   0.00059   0.00077   2.64103
   R84        2.79898  -0.00081  -0.00044   0.00138   0.00095   2.79993
   R85        2.64599  -0.00043  -0.00001  -0.00086  -0.00087   2.64512
   R86        2.79971  -0.00067  -0.00024   0.00060   0.00036   2.80007
   R87        2.63490  -0.00060  -0.00016  -0.00019  -0.00035   2.63455
   R88        2.07964   0.00009   0.00001   0.00007   0.00008   2.07971
   R89        2.62934   0.00094   0.00023   0.00022   0.00045   2.62979
   R90        2.07959   0.00001   0.00001  -0.00027  -0.00026   2.07933
   R91        2.11070   0.00035   0.00007   0.00016   0.00023   2.11093
   R92        2.11678   0.00013   0.00003  -0.00031  -0.00029   2.11649
   R93        2.11460   0.00008   0.00001  -0.00042  -0.00041   2.11418
   R94        2.11153   0.00012   0.00005  -0.00042  -0.00037   2.11116
   R95        2.11410   0.00021   0.00005  -0.00024  -0.00019   2.11392
   R96        2.11497   0.00025   0.00007  -0.00027  -0.00020   2.11477
   R97        2.07891  -0.00003  -0.00001  -0.00021  -0.00023   2.07869
    A1        1.86921   0.00130   0.00052   0.00031   0.00083   1.87005
    A2        1.98835   0.00082   0.00056  -0.00009   0.00046   1.98882
    A3        2.08279   0.00244   0.00058   0.00125   0.00051   2.08330
    A4        2.07227  -0.00230  -0.00060  -0.00699  -0.00878   2.06349
    A5        2.12411  -0.00023  -0.00028  -0.00234  -0.00362   2.12048
    A6        2.14084   0.00006   0.00000   0.00181   0.00183   2.14267
    A7        2.05078  -0.00008   0.00016  -0.00165  -0.00147   2.04930
    A8        2.07502   0.00015   0.00014   0.00049   0.00064   2.07566
    A9        2.14749  -0.00101  -0.00057  -0.00080  -0.00151   2.14598
   A10        2.04045   0.00042   0.00036  -0.00299  -0.00277   2.03768
   A11        2.07798   0.00053   0.00036  -0.00272  -0.00251   2.07547
   A12        2.14096  -0.00032  -0.00028  -0.00156  -0.00203   2.13892
   A13        2.04890   0.00009  -0.00009   0.00223   0.00202   2.05092
   A14        2.09279   0.00024   0.00026   0.00041   0.00055   2.09335
   A15        1.97985   0.00110   0.00181   0.00006   0.00187   1.98173
   A16        1.95280  -0.00061   0.00012  -0.00069  -0.00054   1.95226
   A17        1.87418   0.00016  -0.00041   0.00208   0.00167   1.87585
   A18        1.90877  -0.00008   0.00062  -0.00479  -0.00416   1.90461
   A19        1.85870  -0.00072  -0.00143   0.00082  -0.00062   1.85808
   A20        1.88445   0.00011  -0.00100   0.00297   0.00197   1.88642
   A21        2.01142   0.00188   0.00068  -0.00213  -0.00148   2.00994
   A22        1.88535  -0.00010   0.00085   0.00263   0.00347   1.88882
   A23        1.88844  -0.00122  -0.00135  -0.00202  -0.00337   1.88507
   A24        1.92484  -0.00168  -0.00079   0.00262   0.00184   1.92668
   A25        1.86484  -0.00025  -0.00019  -0.00410  -0.00430   1.86054
   A26        1.88508   0.00139   0.00081   0.00319   0.00401   1.88909
   A27        1.98592   0.00388   0.00229   0.00103   0.00331   1.98923
   A28        1.88641  -0.00081   0.00029  -0.00281  -0.00252   1.88389
   A29        1.88469  -0.00182  -0.00156   0.00200   0.00045   1.88514
   A30        1.90163  -0.00125  -0.00041   0.00331   0.00292   1.90455
   A31        1.92280  -0.00089  -0.00077  -0.00189  -0.00267   1.92012
   A32        1.87925   0.00078   0.00009  -0.00187  -0.00178   1.87747
   A33        1.94056   0.00144   0.00022   0.00417   0.00441   1.94496
   A34        1.85863  -0.00017  -0.00015  -0.00041  -0.00056   1.85807
   A35        1.89630  -0.00046   0.00045  -0.00416  -0.00371   1.89259
   A36        1.95427  -0.00190  -0.00136   0.00244   0.00107   1.95535
   A37        1.91243   0.00078   0.00113  -0.00116  -0.00003   1.91241
   A38        1.89993   0.00030  -0.00031  -0.00114  -0.00146   1.89847
   A39        1.91102  -0.00060  -0.00050   0.00237   0.00186   1.91288
   A40        1.94010  -0.00008   0.00009  -0.00358  -0.00349   1.93661
   A41        1.89681   0.00032  -0.00009   0.00417   0.00409   1.90090
   A42        1.90671   0.00050   0.00039  -0.00186  -0.00147   1.90525
   A43        1.89473  -0.00012  -0.00002  -0.00053  -0.00055   1.89418
   A44        1.91390  -0.00003   0.00012  -0.00048  -0.00036   1.91354
   A45        1.94997   0.00022   0.00029   0.00051   0.00080   1.95077
   A46        1.95412   0.00019   0.00088  -0.00501  -0.00413   1.94999
   A47        1.88369  -0.00039  -0.00076  -0.00095  -0.00170   1.88199
   A48        1.90597  -0.00028  -0.00012   0.00205   0.00193   1.90790
   A49        1.86798   0.00018  -0.00005   0.00150   0.00145   1.86943
   A50        1.89937   0.00007  -0.00030   0.00220   0.00189   1.90126
   A51        1.95642   0.00085   0.00006   0.00370   0.00376   1.96018
   A52        1.91479  -0.00010   0.00046  -0.00470  -0.00424   1.91054
   A53        1.88155  -0.00062  -0.00049   0.00048  -0.00001   1.88154
   A54        1.92567  -0.00046  -0.00043   0.00148   0.00105   1.92672
   A55        1.91276  -0.00006   0.00008  -0.00112  -0.00104   1.91172
   A56        1.87014   0.00036   0.00033  -0.00003   0.00030   1.87044
   A57        2.13425   0.00008  -0.00013   0.00019   0.00008   2.13433
   A58        2.13760  -0.00173  -0.00048  -0.00146  -0.00192   2.13568
   A59        2.00799   0.00162   0.00069   0.00171   0.00242   2.01041
   A60        1.98912  -0.00036  -0.00063   0.00412   0.00358   1.99270
   A61        1.90133  -0.00010   0.00019  -0.00442  -0.00428   1.89705
   A62        1.88848   0.00048   0.00016   0.00344   0.00362   1.89210
   A63        1.89859   0.00036   0.00003   0.00089   0.00098   1.89957
   A64        1.90493  -0.00050   0.00015  -0.00498  -0.00495   1.89999
   A65        1.87838   0.00014   0.00014   0.00080   0.00096   1.87934
   A66        1.93801   0.00041  -0.00037   0.00217   0.00184   1.93984
   A67        1.89782  -0.00004   0.00018   0.00064   0.00083   1.89865
   A68        1.92129  -0.00040  -0.00022  -0.00159  -0.00184   1.91945
   A69        1.90716  -0.00032  -0.00017   0.00021   0.00006   1.90722
   A70        1.91875   0.00002   0.00002  -0.00043  -0.00045   1.91829
   A71        1.87970   0.00034   0.00059  -0.00108  -0.00049   1.87922
   A72        1.96737   0.00020   0.00046  -0.00196  -0.00150   1.96588
   A73        1.90494   0.00023   0.00028   0.00027   0.00054   1.90549
   A74        1.87787  -0.00024  -0.00050   0.00266   0.00216   1.88003
   A75        1.93379  -0.00028  -0.00023   0.00034   0.00011   1.93390
   A76        1.90789   0.00003  -0.00025   0.00119   0.00094   1.90883
   A77        1.86855   0.00005   0.00022  -0.00247  -0.00225   1.86629
   A78        2.10612  -0.00021  -0.00017   0.00160   0.00124   2.10736
   A79        2.09095  -0.00015   0.00001  -0.00081  -0.00100   2.08995
   A80        2.08584   0.00037   0.00015  -0.00008   0.00000   2.08585
   A81        1.93266   0.00004   0.00009  -0.00066  -0.00057   1.93209
   A82        1.91342  -0.00002   0.00013  -0.00099  -0.00086   1.91256
   A83        1.93279  -0.00039  -0.00031   0.00202   0.00171   1.93450
   A84        1.89269   0.00005  -0.00002   0.00021   0.00019   1.89288
   A85        1.90125   0.00012  -0.00004   0.00009   0.00005   1.90130
   A86        1.89007   0.00022   0.00015  -0.00069  -0.00055   1.88952
   A87        1.92974  -0.00003  -0.00003   0.00002  -0.00001   1.92973
   A88        1.94792  -0.00009  -0.00011  -0.00048  -0.00059   1.94732
   A89        1.91539  -0.00005  -0.00001   0.00045   0.00044   1.91584
   A90        1.89184   0.00004   0.00006  -0.00064  -0.00058   1.89126
   A91        1.89230   0.00002  -0.00001   0.00014   0.00013   1.89244
   A92        1.88521   0.00013   0.00010   0.00052   0.00063   1.88584
   A93        1.96523   0.00013  -0.00015  -0.00162  -0.00194   1.96329
   A94        1.89436  -0.00019   0.00003   0.00111   0.00122   1.89558
   A95        1.91140   0.00015   0.00017  -0.00141  -0.00121   1.91019
   A96        1.90616   0.00018   0.00023   0.00033   0.00059   1.90675
   A97        1.90561  -0.00029  -0.00024   0.00056   0.00038   1.90599
   A98        1.87913   0.00003  -0.00004   0.00115   0.00109   1.88022
   A99        2.09735   0.00002   0.00009  -0.00075  -0.00066   2.09669
   A100       2.10233   0.00005  -0.00001   0.00044   0.00042   2.10275
   A101       2.08350  -0.00007  -0.00007   0.00031   0.00024   2.08373
   A102       2.09951   0.00011   0.00002   0.00031   0.00033   2.09984
   A103       2.10287  -0.00011   0.00002  -0.00046  -0.00044   2.10243
   A104       2.08069   0.00000  -0.00004   0.00015   0.00010   2.08080
   A105       2.13810   0.00001  -0.00028   0.00104   0.00073   2.13883
   A106       2.06370  -0.00005   0.00007  -0.00057  -0.00052   2.06318
   A107       2.08068   0.00003   0.00022   0.00000   0.00019   2.08087
   A108       2.09953   0.00003   0.00001   0.00008   0.00009   2.09962
   A109       2.08948  -0.00003  -0.00003   0.00025   0.00021   2.08969
   A110       2.09418   0.00000   0.00002  -0.00032  -0.00030   2.09387
   A111       2.09800  -0.00006   0.00004  -0.00051  -0.00047   2.09753
   A112       2.09572  -0.00002  -0.00008   0.00058   0.00050   2.09622
   A113       2.08946   0.00008   0.00004  -0.00007  -0.00004   2.08942
   A114       2.10076  -0.00001   0.00001  -0.00004  -0.00004   2.10072
   A115       2.08841   0.00001  -0.00004   0.00041   0.00037   2.08879
   A116       2.09400   0.00001   0.00003  -0.00036  -0.00033   2.09367
   A117       2.10029   0.00002   0.00002  -0.00005  -0.00002   2.10027
   A118       2.09161  -0.00008  -0.00009   0.00048   0.00039   2.09200
   A119       2.09128   0.00006   0.00007  -0.00043  -0.00036   2.09092
   A120       1.94130  -0.00137  -0.00078   0.00436   0.00358   1.94487
   A121       1.87283   0.00029   0.00057  -0.00410  -0.00352   1.86931
   A122       1.95164   0.00067   0.00025   0.00100   0.00125   1.95290
   A123       1.88055   0.00066   0.00067  -0.00289  -0.00222   1.87832
   A124       1.89213   0.00003  -0.00034   0.00199   0.00164   1.89377
   A125       1.92428  -0.00028  -0.00036  -0.00058  -0.00094   1.92333
   A126       2.09611   0.00005   0.00004  -0.00021  -0.00017   2.09594
   A127       2.09228  -0.00003  -0.00003   0.00012   0.00010   2.09238
   A128       2.09479  -0.00002  -0.00001   0.00009   0.00008   2.09487
   A129       2.09723   0.00009   0.00001   0.00028   0.00029   2.09752
   A130       2.08985  -0.00004   0.00003  -0.00041  -0.00039   2.08946
   A131       2.09611  -0.00004  -0.00003   0.00013   0.00010   2.09620
   A132       2.09200  -0.00004  -0.00003   0.00006   0.00003   2.09203
   A133       2.09546   0.00001   0.00001  -0.00008  -0.00007   2.09539
   A134       2.09573   0.00003   0.00001   0.00003   0.00004   2.09577
   A135       2.09649   0.00004   0.00003  -0.00008  -0.00005   2.09644
   A136       2.09225  -0.00003  -0.00003   0.00012   0.00008   2.09234
   A137       2.09444  -0.00001   0.00000  -0.00004  -0.00003   2.09441
   A138       2.09692   0.00002   0.00002  -0.00006  -0.00004   2.09688
   A139       2.09188  -0.00001  -0.00001   0.00003   0.00002   2.09190
   A140       2.09439  -0.00001  -0.00001   0.00003   0.00002   2.09441
   A141       2.09122  -0.00007  -0.00003   0.00008   0.00005   2.09127
   A142       2.09564   0.00004   0.00002  -0.00008  -0.00005   2.09559
   A143       2.09632   0.00003   0.00001   0.00000   0.00001   2.09633
   A144       2.05715  -0.00141  -0.00131   0.00645   0.00514   2.06228
   A145       2.10482   0.00107   0.00110  -0.00573  -0.00462   2.10019
   A146       2.11699   0.00034   0.00025  -0.00095  -0.00070   2.11628
   A147       2.06842   0.00003   0.00006  -0.00015  -0.00008   2.06833
   A148       2.11263  -0.00070  -0.00063   0.00325   0.00262   2.11525
   A149       2.10212   0.00067   0.00057  -0.00311  -0.00254   2.09958
   A150       2.07118  -0.00060  -0.00044   0.00153   0.00109   2.07228
   A151       2.11764   0.00003   0.00020  -0.00124  -0.00104   2.11660
   A152       2.09435   0.00056   0.00023  -0.00029  -0.00005   2.09430
   A153       2.10733  -0.00036  -0.00029   0.00098   0.00069   2.10802
   A154       2.08554   0.00010   0.00002   0.00031   0.00033   2.08587
   A155       2.09032   0.00025   0.00027  -0.00129  -0.00102   2.08929
   A156       2.10447   0.00019   0.00018  -0.00087  -0.00069   2.10378
   A157       2.08380  -0.00006  -0.00004   0.00018   0.00014   2.08394
   A158       2.09490  -0.00013  -0.00014   0.00069   0.00055   2.09545
   A159       1.94154  -0.00009  -0.00005   0.00017   0.00013   1.94167
   A160       1.92085   0.00009   0.00006   0.00036   0.00041   1.92126
   A161       1.92514  -0.00022  -0.00021   0.00021   0.00000   1.92514
   A162       1.89011   0.00008   0.00026  -0.00177  -0.00151   1.88860
   A163       1.89384   0.00017   0.00022  -0.00169  -0.00147   1.89238
   A164       1.89117  -0.00002  -0.00028   0.00273   0.00245   1.89362
   A165       1.93903  -0.00009  -0.00008   0.00039   0.00031   1.93934
   A166       1.92641  -0.00007   0.00003  -0.00040  -0.00037   1.92604
   A167       1.92222  -0.00001   0.00005  -0.00041  -0.00036   1.92186
   A168       1.89422   0.00013   0.00001   0.00055   0.00057   1.89479
   A169       1.89025   0.00006  -0.00002   0.00029   0.00027   1.89052
   A170       1.89053  -0.00001   0.00000  -0.00041  -0.00041   1.89012
   A171       2.09788   0.00040   0.00023  -0.00054  -0.00031   2.09757
   A172       2.09137  -0.00018  -0.00004  -0.00040  -0.00045   2.09092
   A173       2.09393  -0.00022  -0.00018   0.00094   0.00075   2.09468
    D1       -0.84500  -0.00066  -0.00579   0.08285   0.07707  -0.76794
    D2       -2.97822   0.00093  -0.00416   0.07764   0.07348  -2.90473
    D3        1.26103   0.00089  -0.00395   0.08130   0.07735   1.33838
    D4        2.43130  -0.00024   0.00319  -0.02194  -0.01875   2.41256
    D5       -1.79910  -0.00003   0.00390  -0.02547  -0.02157  -1.82068
    D6        0.31307   0.00022   0.00399  -0.02827  -0.02428   0.28878
    D7       -2.04454   0.00000  -0.00127   0.01012   0.00885  -2.03569
    D8        1.19459  -0.00004  -0.00181   0.01282   0.01101   1.20559
    D9        0.73826   0.00072   0.00441   0.04135   0.04571   0.78397
   D10       -1.42271   0.00167   0.00430   0.03735   0.04161  -1.38110
   D11        2.82384   0.00072   0.00363   0.03325   0.03684   2.86067
   D12       -2.49792  -0.00032   0.00594  -0.05352  -0.04754  -2.54546
   D13        1.62430   0.00063   0.00583  -0.05752  -0.05164   1.57265
   D14       -0.41234  -0.00032   0.00516  -0.06162  -0.05642  -0.46876
   D15        2.72637  -0.00097  -0.00135  -0.04092  -0.04249   2.68388
   D16       -1.43325  -0.00083  -0.00160  -0.04023  -0.04196  -1.47521
   D17        0.60405  -0.00045  -0.00123  -0.03977  -0.04116   0.56288
   D18       -0.31772   0.00021  -0.00289   0.05712   0.05418  -0.26354
   D19        1.80584   0.00036  -0.00313   0.05781   0.05472   1.86055
   D20       -2.44005   0.00073  -0.00277   0.05827   0.05551  -2.38454
   D21       -0.03733   0.00097   0.00096   0.05831   0.05902   0.02169
   D22        3.12930   0.00054   0.00131   0.02541   0.02636  -3.12753
   D23        3.00734   0.00005   0.00249  -0.03872  -0.03609   2.97124
   D24       -0.10922  -0.00038   0.00284  -0.07162  -0.06876  -0.17798
   D25       -1.20330   0.00074   0.00016   0.03940   0.03956  -1.16374
   D26        2.91032   0.00047  -0.00222   0.04633   0.04411   2.95443
   D27        0.84549   0.00059  -0.00082   0.04180   0.04097   0.88646
   D28        2.13514  -0.00003  -0.00205   0.03560   0.03355   2.16869
   D29       -0.03443  -0.00030  -0.00443   0.04252   0.03809   0.00367
   D30       -2.09926  -0.00019  -0.00303   0.03799   0.03496  -2.06430
   D31        0.17950  -0.00019  -0.00085  -0.00700  -0.00785   0.17165
   D32       -3.04790  -0.00078   0.00131  -0.00149  -0.00018  -3.04808
   D33        3.12164   0.00057   0.00139  -0.00337  -0.00197   3.11966
   D34       -0.10576  -0.00002   0.00356   0.00214   0.00569  -0.10007
   D35       -1.78445   0.00009  -0.00531   0.05839   0.05307  -1.73138
   D36        2.35455   0.00015  -0.00601   0.05901   0.05300   2.40755
   D37        0.26458   0.00020  -0.00567   0.05992   0.05424   0.31882
   D38        1.15638  -0.00020  -0.00357   0.02059   0.01703   1.17340
   D39       -0.98780  -0.00014  -0.00427   0.02122   0.01695  -0.97085
   D40       -3.07778  -0.00009  -0.00393   0.02213   0.01820  -3.05958
   D41       -0.05145  -0.00032   0.00082  -0.01308  -0.01225  -0.06370
   D42        3.13118  -0.00010   0.00053  -0.02681  -0.02628   3.10490
   D43       -2.98818  -0.00001  -0.00096   0.02551   0.02455  -2.96363
   D44        0.19445   0.00021  -0.00125   0.01178   0.01053   0.20498
   D45       -3.07712   0.00012  -0.00151   0.01390   0.01230  -3.06482
   D46        0.03966   0.00054  -0.00185   0.04654   0.04467   0.08433
   D47        0.09989  -0.00039  -0.00062  -0.02133  -0.02198   0.07791
   D48       -3.06651   0.00003  -0.00096   0.01132   0.01038  -3.05613
   D49        0.44438  -0.00041   0.00109  -0.01042  -0.00927   0.43511
   D50        2.55687  -0.00024   0.00131  -0.01027  -0.00893   2.54793
   D51       -1.67928  -0.00024   0.00138  -0.00904  -0.00761  -1.68689
   D52       -2.73349   0.00011   0.00015   0.02570   0.02585  -2.70764
   D53       -0.62100   0.00028   0.00037   0.02585   0.02619  -0.59482
   D54        1.42603   0.00029   0.00043   0.02707   0.02751   1.45354
   D55       -0.83940   0.00003  -0.00932   0.01957   0.01027  -0.82912
   D56        1.27514   0.00037  -0.00813   0.02245   0.01433   1.28947
   D57       -2.97969  -0.00009  -0.00869   0.01984   0.01116  -2.96853
   D58        1.35385  -0.00002  -0.00726   0.01495   0.00769   1.36154
   D59       -2.81480   0.00033  -0.00606   0.01782   0.01174  -2.80305
   D60       -0.78644  -0.00013  -0.00662   0.01521   0.00857  -0.77786
   D61       -2.89719  -0.00032  -0.00890   0.01645   0.00757  -2.88962
   D62       -0.78265   0.00003  -0.00770   0.01933   0.01162  -0.77103
   D63        1.24571  -0.00043  -0.00826   0.01672   0.00845   1.25416
   D64       -0.98696   0.00027  -0.00120  -0.00029  -0.00148  -0.98843
   D65        1.15876   0.00020  -0.00138   0.00079  -0.00058   1.15818
   D66       -3.09351   0.00024  -0.00101  -0.00149  -0.00250  -3.09601
   D67        3.08750  -0.00065  -0.00415   0.00378  -0.00037   3.08712
   D68       -1.04997  -0.00072  -0.00433   0.00486   0.00053  -1.04944
   D69        0.98094  -0.00069  -0.00397   0.00258  -0.00139   0.97955
   D70        1.07175   0.00018  -0.00224   0.00372   0.00149   1.07324
   D71       -3.06572   0.00011  -0.00242   0.00480   0.00238  -3.06333
   D72       -1.03480   0.00015  -0.00205   0.00252   0.00047  -1.03433
   D73        3.12171   0.00011   0.00181  -0.00787  -0.00606   3.11565
   D74        1.01343  -0.00007   0.00160  -0.00481  -0.00321   1.01022
   D75       -1.09447  -0.00019   0.00146  -0.00470  -0.00323  -1.09770
   D76       -1.02146   0.00004   0.00279  -0.00386  -0.00106  -1.02253
   D77       -3.12974  -0.00014   0.00259  -0.00080   0.00179  -3.12796
   D78        1.04555  -0.00026   0.00244  -0.00069   0.00176   1.04730
   D79        1.02315   0.00067   0.00324  -0.00101   0.00222   1.02537
   D80       -1.08513   0.00049   0.00303   0.00205   0.00507  -1.08006
   D81        3.09016   0.00037   0.00289   0.00216   0.00504   3.09520
   D82        1.70441   0.00096   0.00576   0.02774   0.03352   1.73793
   D83       -1.35119   0.00144   0.00359   0.02213   0.02574  -1.32545
   D84       -0.50792  -0.00021   0.00487   0.02680   0.03167  -0.47625
   D85        2.71966   0.00028   0.00270   0.02119   0.02389   2.74355
   D86       -2.53995   0.00021   0.00508   0.02845   0.03352  -2.50643
   D87        0.68763   0.00069   0.00291   0.02284   0.02574   0.71337
   D88        1.74349   0.00084  -0.00032  -0.01064  -0.01096   1.73253
   D89       -2.46292   0.00033  -0.00125  -0.00671  -0.00796  -2.47087
   D90       -0.35301  -0.00001  -0.00178  -0.00734  -0.00911  -0.36213
   D91       -0.36253   0.00021  -0.00191  -0.01011  -0.01203  -0.37456
   D92        1.71425  -0.00030  -0.00284  -0.00618  -0.00903   1.70522
   D93       -2.45903  -0.00063  -0.00337  -0.00681  -0.01019  -2.46922
   D94       -2.42048   0.00053  -0.00132  -0.00872  -0.01004  -2.43052
   D95       -0.34370   0.00002  -0.00225  -0.00479  -0.00704  -0.35074
   D96        1.76621  -0.00032  -0.00278  -0.00542  -0.00820   1.75801
   D97       -1.19350   0.00023   0.00053  -0.00832  -0.00780  -1.20130
   D98        0.97788   0.00043   0.00176  -0.01291  -0.01115   0.96673
   D99        3.03122   0.00047   0.00131  -0.00838  -0.00707   3.02415
   D100       2.96517  -0.00029   0.00114  -0.01466  -0.01351   2.95166
   D101      -1.14664  -0.00009   0.00238  -0.01924  -0.01686  -1.16350
   D102       0.90670  -0.00006   0.00193  -0.01472  -0.01278   0.89392
   D103       0.84804  -0.00024   0.00082  -0.01400  -0.01318   0.83486
   D104       3.01941  -0.00005   0.00205  -0.01858  -0.01652   3.00288
   D105      -1.21043  -0.00001   0.00160  -0.01406  -0.01245  -1.22288
   D106      -1.05500   0.00010   0.00088  -0.00166  -0.00078  -1.05578
   D107       3.14053   0.00003   0.00076  -0.00088  -0.00011   3.14041
   D108       1.05602   0.00001   0.00069  -0.00064   0.00004   1.05607
   D109       1.07343  -0.00006   0.00092  -0.00577  -0.00485   1.06858
   D110      -1.01423  -0.00013   0.00080  -0.00498  -0.00418  -1.01841
   D111      -3.09874  -0.00014   0.00072  -0.00475  -0.00403  -3.10276
   D112      -3.12330   0.00013   0.00128  -0.00774  -0.00647  -3.12977
   D113       1.07222   0.00006   0.00116  -0.00696  -0.00580   1.06642
   D114      -1.01228   0.00004   0.00108  -0.00673  -0.00564  -1.01792
   D115       0.92592  -0.00024   0.00164  -0.00993  -0.00829   0.91763
   D116      -1.18136  -0.00020   0.00166  -0.00881  -0.00715  -1.18851
   D117       3.01254  -0.00027   0.00160  -0.00945  -0.00785   3.00470
   D118      -1.18489   0.00023   0.00195  -0.00937  -0.00742  -1.19231
   D119       2.99102   0.00026   0.00197  -0.00825  -0.00628   2.98474
   D120       0.90173   0.00019   0.00192  -0.00889  -0.00698   0.89476
   D121       3.02373   0.00009   0.00166  -0.00732  -0.00566   3.01807
   D122       0.91644   0.00013   0.00168  -0.00620  -0.00452   0.91193
   D123      -1.17284   0.00006   0.00163  -0.00685  -0.00522  -1.17805
   D124      -1.10434   0.00022   0.00475  -0.03435  -0.02960  -1.13394
   D125       1.05226   0.00017   0.00498  -0.03508  -0.03010   1.02217
   D126       3.07407   0.00022   0.00512  -0.03643  -0.03131   3.04276
   D127       3.00991   0.00001   0.00386  -0.03301  -0.02914   2.98077
   D128      -1.11667  -0.00004   0.00409  -0.03374  -0.02964  -1.14632
   D129       0.90513   0.00001   0.00423  -0.03508  -0.03085   0.87428
   D130       0.97643  -0.00009   0.00415  -0.03717  -0.03302   0.94340
   D131       3.13303  -0.00015   0.00438  -0.03790  -0.03352   3.09951
   D132      -1.12835  -0.00009   0.00452  -0.03925  -0.03473  -1.16308
   D133      -1.45263  -0.00002   0.00010  -0.04055  -0.04045  -1.49308
   D134       1.69364   0.00001   0.00019  -0.04028  -0.04009   1.65355
   D135       2.69099  -0.00017  -0.00022  -0.03815  -0.03838   2.65262
   D136      -0.44592  -0.00014  -0.00013  -0.03789  -0.03802  -0.48394
   D137       0.63575  -0.00029  -0.00042  -0.03832  -0.03874   0.59701
   D138      -2.50116  -0.00027  -0.00033  -0.03805  -0.03838  -2.53954
   D139       0.77174   0.00004   0.00202  -0.01882  -0.01684   0.75490
   D140       2.87065  -0.00014   0.00170  -0.01681  -0.01510   2.85555
   D141      -1.35718   0.00001   0.00239  -0.01865  -0.01625  -1.37343
   D142      -1.35333   0.00015   0.00217  -0.01657  -0.01447  -1.36780
   D143       0.74558  -0.00003   0.00185  -0.01456  -0.01273   0.73285
   D144       2.80093   0.00012   0.00254  -0.01640  -0.01388   2.78705
   D145       2.88494   0.00006   0.00190  -0.01524  -0.01340   2.87154
   D146      -1.29934  -0.00012   0.00158  -0.01323  -0.01166  -1.31100
   D147       0.75602   0.00003   0.00227  -0.01507  -0.01281   0.74320
   D148      -0.82815  -0.00013  -0.00125  -0.00325  -0.00445  -0.83260
   D149      -2.93388  -0.00009  -0.00135  -0.00383  -0.00513  -2.93901
   D150       1.29880  -0.00006  -0.00130  -0.00573  -0.00701   1.29179
   D151      -2.92151  -0.00012  -0.00114  -0.00554  -0.00668  -2.92818
   D152       1.25595  -0.00008  -0.00124  -0.00613  -0.00736   1.24859
   D153      -0.79456  -0.00005  -0.00119  -0.00802  -0.00923  -0.80379
   D154       1.30225  -0.00035  -0.00176  -0.00410  -0.00585   1.29640
   D155      -0.80348  -0.00031  -0.00186  -0.00468  -0.00653  -0.81001
   D156      -2.85398  -0.00028  -0.00181  -0.00658  -0.00841  -2.86239
   D157      -1.19253   0.00012  -0.00153   0.01901   0.01748  -1.17505
   D158       1.96522   0.00016  -0.00136   0.01922   0.01787   1.98309
   D159       2.95013  -0.00011  -0.00205   0.01982   0.01777   2.96790
   D160      -0.17530  -0.00008  -0.00188   0.02003   0.01815  -0.15715
   D161       0.89496  -0.00003  -0.00203   0.02192   0.01989   0.91485
   D162      -2.23047   0.00001  -0.00186   0.02213   0.02027  -2.21020
   D163      -3.13693   0.00006   0.00009   0.00141   0.00149  -3.13544
   D164       0.00376   0.00003   0.00012   0.00018   0.00030   0.00405
   D165       0.00004   0.00003   0.00000   0.00114   0.00114   0.00118
   D166       3.14072   0.00000   0.00003  -0.00009  -0.00005   3.14067
   D167       3.13772  -0.00005  -0.00009  -0.00106  -0.00115   3.13657
   D168      -0.00299  -0.00012   0.00009  -0.00705  -0.00697  -0.00995
   D169       0.00077  -0.00002   0.00000  -0.00080  -0.00079  -0.00002
   D170      -3.13994  -0.00009   0.00018  -0.00678  -0.00661   3.13664
   D171      -3.12706   0.00003   0.00027  -0.00145  -0.00118  -3.12824
   D172       0.02004   0.00003   0.00044  -0.00320  -0.00276   0.01728
   D173      -0.00142   0.00000   0.00010  -0.00166  -0.00156  -0.00298
   D174      -3.13751  -0.00001   0.00027  -0.00341  -0.00314  -3.14065
   D175       3.12538  -0.00004  -0.00027   0.00127   0.00100   3.12638
   D176      -0.01519  -0.00003  -0.00014   0.00065   0.00051  -0.01468
   D177      -0.00023   0.00000  -0.00010   0.00148   0.00137   0.00115
   D178      -3.14079   0.00001   0.00002   0.00086   0.00088  -3.13991
   D179       2.75282   0.00019   0.00187   0.00189   0.00377   2.75658
   D180       0.70472   0.00021   0.00123   0.00615   0.00737   0.71209
   D181      -1.37772   0.00016   0.00147   0.00736   0.00884  -1.36888
   D182      -0.42806  -0.00001   0.00214   0.01507   0.01721  -0.41085
   D183      -2.47616   0.00001   0.00149   0.01933   0.02082  -2.45534
   D184       1.72459  -0.00004   0.00174   0.02054   0.02228   1.74687
   D185      -0.00066  -0.00001   0.00001  -0.00047  -0.00046  -0.00112
   D186       3.14012  -0.00001   0.00001  -0.00037  -0.00037   3.13975
   D187      -3.14135   0.00002  -0.00003   0.00077   0.00074  -3.14061
   D188      -0.00057   0.00001  -0.00003   0.00086   0.00083   0.00027
   D189      -0.00095   0.00000  -0.00001  -0.00023  -0.00023  -0.00118
   D190       3.13877   0.00000   0.00010  -0.00158  -0.00148   3.13729
   D191       3.13976   0.00007  -0.00018   0.00574   0.00556  -3.13786
   D192      -0.00370   0.00007  -0.00008   0.00439   0.00431   0.00061
   D193       0.00200   0.00000  -0.00001   0.00060   0.00059   0.00259
   D194      -3.13792   0.00000  -0.00003   0.00058   0.00055  -3.13737
   D195       3.13807   0.00001  -0.00018   0.00236   0.00218   3.14025
   D196      -0.00185   0.00001  -0.00020   0.00234   0.00214   0.00030
   D197       0.00130   0.00000   0.00001  -0.00023  -0.00022   0.00108
   D198      -3.14038   0.00000   0.00005  -0.00044  -0.00039  -3.14077
   D199      -3.14132  -0.00001  -0.00012   0.00039   0.00027  -3.14105
   D200       0.00018  -0.00001  -0.00008   0.00018   0.00010   0.00028
   D201       0.00049  -0.00001  -0.00001  -0.00057  -0.00057  -0.00009
   D202       3.14114   0.00000   0.00000   0.00040   0.00040   3.14154
   D203      -3.14029  -0.00001  -0.00001  -0.00066  -0.00067  -3.14096
   D204       0.00036   0.00000   0.00000   0.00031   0.00031   0.00067
   D205       0.00032   0.00002   0.00001   0.00091   0.00092   0.00124
   D206      -3.14034   0.00000   0.00000  -0.00006  -0.00006  -3.14039
   D207      -3.13940   0.00002  -0.00010   0.00227   0.00217  -3.13722
   D208       0.00314   0.00000  -0.00010   0.00130   0.00120   0.00433
   D209      -0.00092  -0.00001  -0.00009   0.00067   0.00058  -0.00034
   D210       3.14048   0.00001  -0.00004   0.00066   0.00062   3.14110
   D211       3.13900   0.00000  -0.00007   0.00068   0.00062   3.13962
   D212      -0.00279   0.00001  -0.00002   0.00068   0.00066  -0.00213
   D213      -0.00073   0.00000   0.00009  -0.00085  -0.00076  -0.00149
   D214       3.14106  -0.00001   0.00004  -0.00084  -0.00080   3.14026
   D215       3.14096   0.00000   0.00004  -0.00064  -0.00059   3.14036
   D216      -0.00044  -0.00001   0.00000  -0.00063  -0.00064  -0.00108
   D217      -3.04928  -0.00009  -0.00100   0.00376   0.00276  -3.04652
   D218       0.08503  -0.00010  -0.00105   0.00269   0.00164   0.08667
   D219      -0.00594  -0.00001  -0.00041   0.00077   0.00035  -0.00559
   D220       3.12837  -0.00002  -0.00046  -0.00030  -0.00076   3.12761
   D221       3.05529  -0.00006   0.00070  -0.00285  -0.00216   3.05313
   D222      -0.08002  -0.00008   0.00053  -0.00279  -0.00227  -0.08229
   D223       0.01462   0.00000   0.00021  -0.00047  -0.00025   0.01436
   D224      -3.12070  -0.00003   0.00004  -0.00040  -0.00036  -3.12106
   D225      -0.00710   0.00002   0.00034  -0.00040  -0.00006  -0.00716
   D226       3.13606   0.00004   0.00036  -0.00114  -0.00077   3.13528
   D227      -3.14146   0.00004   0.00039   0.00063   0.00102  -3.14044
   D228       0.00170   0.00005   0.00041  -0.00010   0.00031   0.00201
   D229      -2.96205   0.00009   0.00150  -0.00226  -0.00077  -2.96282
   D230       1.22620  -0.00001   0.00116  -0.00039   0.00077   1.22697
   D231      -0.85958   0.00010   0.00160  -0.00413  -0.00253  -0.86212
   D232       0.17212   0.00008   0.00145  -0.00334  -0.00190   0.17023
   D233      -1.92281  -0.00002   0.00111  -0.00147  -0.00036  -1.92316
   D234       2.27459   0.00008   0.00155  -0.00521  -0.00366   2.27093
   D235      -0.01045   0.00001   0.00007  -0.00019  -0.00013  -0.01058
   D236       3.13684   0.00001   0.00007  -0.00084  -0.00076   3.13608
   D237       3.12495   0.00003   0.00024  -0.00026  -0.00003   3.12493
   D238      -0.01094   0.00003   0.00024  -0.00091  -0.00066  -0.01161
   D239       2.82095   0.00002  -0.00096   0.01071   0.00974   2.83069
   D240       0.71881  -0.00004  -0.00095   0.01002   0.00907   0.72788
   D241      -1.36785   0.00003  -0.00100   0.01104   0.01004  -1.35781
   D242      -0.31429   0.00000  -0.00114   0.01077   0.00963  -0.30466
   D243      -2.41642  -0.00005  -0.00112   0.01008   0.00896  -2.40746
   D244       1.78010   0.00001  -0.00117   0.01110   0.00993   1.79003
   D245       0.01124  -0.00002  -0.00007  -0.00024  -0.00031   0.01093
   D246      -3.13522   0.00002   0.00014  -0.00115  -0.00101  -3.13624
   D247      -3.13192  -0.00003  -0.00010   0.00050   0.00040  -3.13151
   D248       0.00480   0.00001   0.00012  -0.00042  -0.00030   0.00450
   D249      -0.00226   0.00000  -0.00013   0.00054   0.00041  -0.00185
   D250      -3.13897  -0.00003  -0.00035   0.00146   0.00111  -3.13785
   D251       3.13361   0.00000  -0.00014   0.00119   0.00105   3.13466
   D252      -0.00310  -0.00003  -0.00036   0.00211   0.00175  -0.00135
         Item               Value     Threshold  Converged?
 Maximum Force            0.003882     0.000450     NO 
 RMS     Force            0.000519     0.000300     NO 
 Maximum Displacement     0.602991     0.001800     NO 
 RMS     Displacement     0.098747     0.001200     NO 
 Predicted change in Energy=-3.641555D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.153264    0.009517   -1.488237
      2          8           0       -3.329592    0.261905   -2.485553
      3          8           0       -3.201260   -2.132984    1.423623
      4          8           0        2.014009    1.859182    2.247856
      5          8           0        3.493453   -1.243919    1.307857
      6          7           0       -2.961818   -2.536262   -0.847456
      7          7           0       -3.143792    0.444449   -0.203843
      8          7           0        2.094491    0.866392    0.175259
      9          7           0       -1.503097   -3.538584    0.795749
     10          6           0       -2.709487    1.823536   -0.203650
     11          6           0       -4.073476   -1.654393   -1.131483
     12          6           0       -1.368924    2.046642   -0.929151
     13          6           0       -0.277673    1.057673   -0.532771
     14          6           0       -4.953548   -2.073201   -2.324597
     15          6           0        1.116509    1.735256   -0.438892
     16          6           0       -2.611739    2.394036    1.224566
     17          6           0       -3.512605   -0.218626   -1.348840
     18          6           0       -2.143110   -3.016469   -1.935497
     19          6           0       -0.715389   -3.376862   -1.531830
     20          6           0        1.558016    2.188003   -1.842128
     21          6           0       -2.577369   -2.711260    0.494169
     22          6           0       -6.095730   -1.086302   -2.486076
     23          6           0       -5.522164   -3.462593   -2.117440
     24          6           0       -0.693973   -4.152733   -0.216807
     25          6           0       -3.896495    2.282335    1.966541
     26          6           0        2.778330    3.037934   -1.811886
     27          6           0        2.456220    0.965113    1.494347
     28          6           0       -4.874897    3.274689    1.831153
     29          6           0       -4.137113    1.190792    2.809426
     30          6           0        2.735920    4.315684   -1.239492
     31          6           0        3.976323    2.579502   -2.371794
     32          6           0        3.464967   -0.030217    2.068275
     33          6           0       -6.076546    3.177295    2.530168
     34          6           0       -5.341049    1.095410    3.506516
     35          6           0       -6.311393    2.087635    3.368867
     36          6           0        3.874262    5.118944   -1.224814
     37          6           0        5.113940    3.385625   -2.358140
     38          6           0        5.065392    4.655473   -1.784316
     39          6           0        4.774779   -1.745367    1.090951
     40          6           0        5.242289   -1.822390   -0.234063
     41          6           0        5.522141   -2.270224    2.159804
     42          6           0        6.478375   -2.429981   -0.470981
     43          6           0        6.760870   -2.862557    1.887852
     44          6           0        4.445495   -1.284464   -1.361480
     45          6           0        5.018474   -2.212325    3.552102
     46          6           0        7.235808   -2.940772    0.582119
     47          1           0       -3.485594    2.425051   -0.770557
     48          1           0       -4.750600   -1.637362   -0.218659
     49          1           0       -1.555716    1.965294   -2.034221
     50          1           0       -1.031950    3.093304   -0.719538
     51          1           0       -0.527310    0.600455    0.467999
     52          1           0       -4.330306   -2.055397   -3.261644
     53          1           0        0.999779    2.647369    0.221627
     54          1           0       -3.331496    0.020674    0.682301
     55          1           0       -1.790990    1.868456    1.782066
     56          1           0       -2.318027    3.474207    1.143280
     57          1           0       -2.636206   -3.927942   -2.384604
     58          1           0       -2.106414   -2.218157   -2.733509
     59          1           0       -0.260340   -4.004857   -2.338775
     60          1           0       -0.097148   -2.444875   -1.435905
     61          1           0        1.717832    1.283394   -2.488380
     62          1           0        0.711179    2.768515   -2.295990
     63          1           0       -6.731960   -1.065779   -1.569336
     64          1           0       -6.732603   -1.389407   -3.351543
     65          1           0       -5.707369   -0.057658   -2.680733
     66          1           0       -6.036302   -3.532593   -1.128733
     67          1           0       -4.725131   -4.241586   -2.154831
     68          1           0       -6.266224   -3.689831   -2.919325
     69          1           0        0.366952   -4.216519    0.159957
     70          1           0       -1.057334   -5.205754   -0.400899
     71          1           0        2.353639    0.052775   -0.334927
     72          1           0       -1.303999   -3.699698    1.753327
     73          1           0       -1.048691   -0.276285   -1.716166
     74          1           0       -4.691402    4.135098    1.171156
     75          1           0       -3.377534    0.401018    2.921067
     76          1           0        1.798625    4.683170   -0.796551
     77          1           0        4.021076    1.578387   -2.825534
     78          1           0        3.126275   -0.297867    3.104946
     79          1           0        4.470659    0.463693    2.105074
     80          1           0       -6.839456    3.961393    2.420118
     81          1           0       -5.523761    0.232489    4.163533
     82          1           0       -7.259535    2.011346    3.920110
     83          1           0        3.833138    6.119172   -0.769835
     84          1           0        6.050760    3.017869   -2.800938
     85          1           0        5.962935    5.290093   -1.772713
     86          1           0        6.857145   -2.504529   -1.501590
     87          1           0        7.357360   -3.272204    2.716782
     88          1           0        4.876286   -1.592558   -2.345000
     89          1           0        4.429528   -0.165290   -1.321562
     90          1           0        3.391990   -1.656710   -1.304698
     91          1           0        5.561684   -2.936256    4.207036
     92          1           0        3.926934   -2.455280    3.581415
     93          1           0        5.160896   -1.184186    3.970438
     94          1           0        8.208888   -3.411245    0.377774
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0844423      0.0410234      0.0357457
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3235.3287812915 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.244806772456     A.U. after   15 cycles
             Convg  =    0.6332D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000549135    0.000983515   -0.000002316
      2        8          -0.000231813   -0.000857201    0.001400652
      3        8          -0.000541152    0.000678678   -0.001828648
      4        8           0.000597675   -0.001334470    0.000603734
      5        8          -0.001813927   -0.001228370    0.000561768
      6        7           0.000627951    0.003875916    0.003278439
      7        7          -0.001416494    0.001782517    0.000327280
      8        7          -0.000660755   -0.001679274    0.000145593
      9        7           0.001166548    0.000942449    0.000564106
     10        6           0.001106537   -0.000886442   -0.000623213
     11        6          -0.000606811   -0.001920936   -0.002118855
     12        6           0.000064911   -0.000836108   -0.000028862
     13        6          -0.001365890    0.002008351    0.001930500
     14        6          -0.000617205    0.000145619    0.000955233
     15        6           0.001221746   -0.001149799   -0.001519127
     16        6          -0.000202367    0.000657227   -0.000344992
     17        6          -0.000874070    0.001712020   -0.001085440
     18        6           0.000086780   -0.000793440   -0.000911356
     19        6           0.000262040   -0.000263507    0.000222368
     20        6           0.000332423   -0.001282108    0.000151012
     21        6           0.000734242   -0.000900961    0.001297774
     22        6           0.000628933   -0.000272459   -0.000223944
     23        6           0.000130355   -0.000147364    0.000066502
     24        6          -0.000747828   -0.000580591   -0.001030593
     25        6           0.000196805   -0.000585102    0.000077513
     26        6          -0.000107418    0.000534392    0.000431028
     27        6           0.000091788    0.002938930   -0.000098468
     28        6           0.000082502    0.000236121   -0.000288364
     29        6          -0.000426320    0.000364196   -0.000000587
     30        6           0.000177217   -0.000236296    0.000136036
     31        6          -0.000089208   -0.000085377   -0.000274406
     32        6          -0.000006436   -0.000911286   -0.000350370
     33        6           0.000276077   -0.000000571    0.000030612
     34        6          -0.000200648   -0.000212848    0.000010776
     35        6           0.000094360   -0.000049927    0.000036048
     36        6           0.000195944    0.000044002    0.000267355
     37        6          -0.000232427    0.000117192   -0.000172874
     38        6          -0.000049814    0.000064239    0.000071508
     39        6           0.000648238    0.000753951   -0.000405155
     40        6          -0.001941767   -0.000381438    0.001208014
     41        6           0.001588230    0.000874590   -0.001417577
     42        6           0.001672707   -0.000499200   -0.000057261
     43        6          -0.000611462    0.000361368   -0.000387229
     44        6           0.000729116    0.000524884   -0.000867657
     45        6          -0.000110026   -0.000591232    0.000690748
     46        6          -0.000941579   -0.000330437    0.000889542
     47        1          -0.000609139   -0.000455112   -0.000367537
     48        1           0.001022098   -0.000012517    0.000231136
     49        1           0.000279953   -0.000373623    0.000842113
     50        1          -0.000398690    0.000150710   -0.000893815
     51        1           0.000797032    0.000030935   -0.000310381
     52        1          -0.000051384   -0.000202740   -0.000061959
     53        1           0.000295641   -0.000004746   -0.000402513
     54        1           0.000254038   -0.000448883    0.000356987
     55        1           0.000087977    0.000668655   -0.000397614
     56        1          -0.000357250   -0.000439463    0.000371909
     57        1          -0.000245693    0.000530289   -0.000490332
     58        1          -0.000258699   -0.000663650    0.000275286
     59        1           0.000212268    0.000320880    0.000157625
     60        1          -0.000609450   -0.000185697   -0.000614126
     61        1          -0.000039333   -0.000266323    0.000139932
     62        1          -0.000663013    0.000176705   -0.000294121
     63        1          -0.000085781    0.000236041   -0.000262982
     64        1          -0.000097026    0.000123490    0.000291778
     65        1           0.000212770   -0.000361368   -0.000218136
     66        1          -0.000108816    0.000190926   -0.000142470
     67        1           0.000473317   -0.000385938   -0.000114209
     68        1          -0.000143383   -0.000008909    0.000111554
     69        1           0.000165399    0.000119379    0.000107295
     70        1          -0.000095325    0.000264283    0.000304805
     71        1           0.000353873    0.000096876    0.000400703
     72        1          -0.000341178   -0.000621278   -0.000214373
     73        1           0.000548783   -0.001254146    0.000845440
     74        1          -0.000129032   -0.000183125    0.000036406
     75        1           0.000471720    0.000117140    0.000070481
     76        1          -0.000140968    0.000179319   -0.000104851
     77        1           0.000079527    0.000149744    0.000193914
     78        1           0.000442223    0.000347866   -0.000464252
     79        1          -0.000438392    0.000469797   -0.000032818
     80        1          -0.000163936    0.000001295   -0.000022060
     81        1           0.000097831    0.000118062   -0.000053650
     82        1          -0.000056360    0.000104340   -0.000045850
     83        1          -0.000091832   -0.000036952   -0.000128659
     84        1           0.000102208   -0.000091912    0.000057812
     85        1           0.000031196   -0.000090348   -0.000051068
     86        1          -0.000180215   -0.000093983    0.000036988
     87        1           0.000142511    0.000014903    0.000052269
     88        1           0.000275690   -0.000133386    0.000271623
     89        1          -0.000256622    0.000124705   -0.000161598
     90        1          -0.000138520    0.000210776   -0.000313489
     91        1           0.000229945    0.000011601    0.000003356
     92        1          -0.000252628    0.000128584    0.000063946
     93        1          -0.000163847   -0.000119152   -0.000264167
     94        1           0.000073673   -0.000037465   -0.000113179
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003875916 RMS     0.000710395

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004364054 RMS     0.000560413
 Search for a local minimum.
 Step number  16 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   15   16
 DE= -5.69D-04 DEPred=-3.64D-04 R= 1.56D+00
 SS=  1.41D+00  RLast= 3.41D-01 DXNew= 1.4270D+00 1.0228D+00
 Trust test= 1.56D+00 RLast= 3.41D-01 DXMaxT set to 1.02D+00
     Eigenvalues ---    0.00119   0.00219   0.00230   0.00232   0.00237
     Eigenvalues ---    0.00246   0.00274   0.00304   0.00343   0.00366
     Eigenvalues ---    0.00420   0.00450   0.00479   0.00487   0.00499
     Eigenvalues ---    0.00562   0.00669   0.00785   0.00933   0.01029
     Eigenvalues ---    0.01266   0.01329   0.01371   0.01389   0.01400
     Eigenvalues ---    0.01435   0.01442   0.01484   0.01539   0.01600
     Eigenvalues ---    0.01946   0.02020   0.02035   0.02083   0.02098
     Eigenvalues ---    0.02117   0.02125   0.02143   0.02148   0.02150
     Eigenvalues ---    0.02151   0.02157   0.02161   0.02169   0.02172
     Eigenvalues ---    0.02172   0.02176   0.02176   0.02179   0.02180
     Eigenvalues ---    0.02182   0.02183   0.02187   0.02187   0.02188
     Eigenvalues ---    0.02322   0.02454   0.02879   0.03068   0.03420
     Eigenvalues ---    0.03466   0.03654   0.03817   0.03937   0.03998
     Eigenvalues ---    0.04057   0.04282   0.04329   0.04395   0.04655
     Eigenvalues ---    0.04786   0.04815   0.04909   0.04968   0.05055
     Eigenvalues ---    0.05111   0.05371   0.05381   0.05396   0.05441
     Eigenvalues ---    0.05534   0.05573   0.05616   0.05624   0.05666
     Eigenvalues ---    0.05710   0.05898   0.06060   0.06735   0.07037
     Eigenvalues ---    0.07104   0.07109   0.07251   0.07368   0.07522
     Eigenvalues ---    0.07648   0.08035   0.08264   0.08522   0.09173
     Eigenvalues ---    0.09280   0.09394   0.09613   0.11012   0.11607
     Eigenvalues ---    0.12285   0.12371   0.12782   0.12862   0.14078
     Eigenvalues ---    0.15728   0.15814   0.15849   0.15959   0.15995
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16005   0.16006   0.16012
     Eigenvalues ---    0.16019   0.16026   0.16094   0.16265   0.16472
     Eigenvalues ---    0.16691   0.16857   0.17084   0.17559   0.18662
     Eigenvalues ---    0.19020   0.19840   0.20215   0.20793   0.21702
     Eigenvalues ---    0.21792   0.21884   0.21998   0.21999   0.22000
     Eigenvalues ---    0.22000   0.22036   0.22148   0.22500   0.22711
     Eigenvalues ---    0.23203   0.23412   0.23480   0.23534   0.23934
     Eigenvalues ---    0.24639   0.24882   0.24971   0.24986   0.24992
     Eigenvalues ---    0.25008   0.25045   0.25069   0.25168   0.25707
     Eigenvalues ---    0.26241   0.26655   0.27002   0.27258   0.27490
     Eigenvalues ---    0.27833   0.28389   0.28443   0.28495   0.29047
     Eigenvalues ---    0.29735   0.29882   0.30084   0.30340   0.30852
     Eigenvalues ---    0.31578   0.32296   0.32794   0.33173   0.34359
     Eigenvalues ---    0.34402   0.34466   0.34542   0.34588   0.34633
     Eigenvalues ---    0.34650   0.34663   0.34700   0.34705   0.34731
     Eigenvalues ---    0.34734   0.34736   0.34747   0.34749   0.34753
     Eigenvalues ---    0.34768   0.34772   0.34779   0.34789   0.34799
     Eigenvalues ---    0.34807   0.34813   0.34824   0.34832   0.34837
     Eigenvalues ---    0.34847   0.34871   0.34898   0.34938   0.35346
     Eigenvalues ---    0.35743   0.35883   0.35895   0.35921   0.35944
     Eigenvalues ---    0.35967   0.35978   0.35984   0.35994   0.36003
     Eigenvalues ---    0.36025   0.36033   0.36060   0.36100   0.37579
     Eigenvalues ---    0.39232   0.39663   0.41120   0.42170   0.42248
     Eigenvalues ---    0.42275   0.42338   0.42498   0.43093   0.44951
     Eigenvalues ---    0.45624   0.45913   0.46024   0.46075   0.46115
     Eigenvalues ---    0.46139   0.46219   0.46341   0.46433   0.46756
     Eigenvalues ---    0.46764   0.46783   0.46932   0.47233   0.47392
     Eigenvalues ---    0.48847   0.50603   0.53021   0.55155   0.55489
     Eigenvalues ---    0.57937   0.62028   0.90444   0.90501   0.92076
     Eigenvalues ---    0.970591000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    16   15   14   13   12
 RFO step:  Lambda=-3.72248893D-04.
 DIIS coeffs:      1.30850     -0.14379     -1.19332     -0.58671      1.61532
 Iteration  1 RMS(Cart)=  0.17669555 RMS(Int)=  0.00474713
 Iteration  2 RMS(Cart)=  0.01358891 RMS(Int)=  0.00019081
 Iteration  3 RMS(Cart)=  0.00006179 RMS(Int)=  0.00018972
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00018972
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69047   0.00116  -0.00089   0.00065  -0.00024   2.69023
    R2        1.82769  -0.00072  -0.00159   0.00059  -0.00100   1.82670
    R3        2.35763   0.00146   0.00095   0.00197   0.00291   2.36055
    R4        2.38100   0.00197   0.00148   0.00333   0.00481   2.38581
    R5        2.36230  -0.00101  -0.00115   0.00021  -0.00094   2.36136
    R6        2.70707  -0.00068  -0.00098  -0.00069  -0.00167   2.70541
    R7        2.63228   0.00010   0.00094  -0.00039   0.00055   2.63283
    R8        2.73466   0.00024   0.00460   0.00507   0.00967   2.74432
    R9        2.72849  -0.00059   0.00070   0.00112   0.00213   2.73062
   R10        2.65799   0.00077   0.00130   0.00814   0.00982   2.66782
   R11        2.73227   0.00160   0.00153  -0.00321  -0.00168   2.73059
   R12        2.59568  -0.00003   0.00102  -0.00444  -0.00342   2.59226
   R13        1.88979  -0.00043  -0.00242   0.00436   0.00194   1.89173
   R14        2.73100  -0.00070  -0.00425   0.00390  -0.00035   2.73065
   R15        2.59147   0.00061   0.00080   0.00210   0.00291   2.59437
   R16        1.87970   0.00053   0.00062   0.00089   0.00151   1.88121
   R17        2.62494   0.00014   0.00179  -0.00251  -0.00069   2.62425
   R18        2.71038  -0.00067  -0.00162   0.00206   0.00013   2.71050
   R19        1.87317  -0.00029  -0.00061  -0.00057  -0.00118   1.87199
   R20        2.91118   0.00206  -0.00120  -0.00100  -0.00220   2.90898
   R21        2.91216   0.00066  -0.00078   0.00302   0.00224   2.91440
   R22        2.14261   0.00054   0.00258  -0.00006   0.00252   2.14513
   R23        2.91131   0.00009   0.00257  -0.00451  -0.00194   2.90937
   R24        2.94170   0.00035   0.00534  -0.00058   0.00476   2.94646
   R25        2.14801  -0.00036  -0.00083   0.00045  -0.00038   2.14763
   R26        2.88207   0.00091   0.00039  -0.00529  -0.00490   2.87716
   R27        2.12347   0.00076   0.00188   0.00011   0.00198   2.12545
   R28        2.11530   0.00067   0.00224   0.00159   0.00383   2.11913
   R29        2.93467   0.00279   0.01054  -0.00226   0.00828   2.94294
   R30        2.13205   0.00045   0.00011   0.00111   0.00122   2.13327
   R31        2.86879  -0.00061  -0.00141  -0.00063  -0.00204   2.86675
   R32        2.86382  -0.00020  -0.00172   0.00346   0.00174   2.86556
   R33        2.12693   0.00012   0.00074  -0.00044   0.00031   2.12724
   R34        2.90857   0.00101   0.00386  -0.00186   0.00200   2.91057
   R35        2.13953   0.00024   0.00120   0.00045   0.00165   2.14119
   R36        2.81157  -0.00015  -0.00063   0.00013  -0.00050   2.81107
   R37        2.12178   0.00020   0.00032   0.00068   0.00100   2.12277
   R38        2.12091   0.00029   0.00089   0.00043   0.00132   2.12224
   R39        2.88529  -0.00005   0.00179  -0.00055   0.00110   2.88640
   R40        2.13432  -0.00014  -0.00023  -0.00078  -0.00102   2.13331
   R41        2.13420   0.00072   0.00156   0.00046   0.00201   2.13621
   R42        2.88561   0.00000  -0.00012  -0.00106  -0.00143   2.88417
   R43        2.11498   0.00012   0.00038  -0.00004   0.00034   2.11532
   R44        2.12123   0.00058   0.00029   0.00212   0.00241   2.12365
   R45        2.81084  -0.00069  -0.00240   0.00088  -0.00152   2.80933
   R46        2.12247   0.00009   0.00000   0.00060   0.00060   2.12307
   R47        2.12131   0.00061   0.00191   0.00001   0.00192   2.12324
   R48        2.10907   0.00036   0.00106   0.00008   0.00114   2.11021
   R49        2.10983   0.00032   0.00081   0.00025   0.00106   2.11089
   R50        2.11009   0.00031   0.00102  -0.00008   0.00095   2.11104
   R51        2.11006   0.00024   0.00073   0.00003   0.00076   2.11081
   R52        2.10727   0.00046   0.00093   0.00031   0.00124   2.10851
   R53        2.11133   0.00017   0.00053  -0.00018   0.00036   2.11168
   R54        2.13094   0.00004   0.00031   0.00008   0.00039   2.13133
   R55        2.13361   0.00035   0.00156  -0.00073   0.00083   2.13444
   R56        2.64586   0.00008   0.00019   0.00019   0.00038   2.64624
   R57        2.64549   0.00042   0.00044   0.00086   0.00130   2.64679
   R58        2.64702  -0.00008   0.00003   0.00021   0.00025   2.64727
   R59        2.64484  -0.00012  -0.00001   0.00013   0.00012   2.64496
   R60        2.88927  -0.00104  -0.00302   0.00036  -0.00266   2.88661
   R61        2.63349  -0.00002  -0.00012  -0.00009  -0.00021   2.63327
   R62        2.07833   0.00023   0.00069  -0.00006   0.00063   2.07896
   R63        2.63513  -0.00003  -0.00012   0.00011   0.00000   2.63513
   R64        2.08142   0.00047   0.00066   0.00204   0.00270   2.08412
   R65        2.63294  -0.00003  -0.00005  -0.00002  -0.00007   2.63287
   R66        2.07850   0.00025   0.00076   0.00006   0.00082   2.07932
   R67        2.63493   0.00000  -0.00012   0.00017   0.00005   2.63498
   R68        2.07880   0.00024   0.00072   0.00009   0.00081   2.07960
   R69        2.12208   0.00063   0.00114   0.00161   0.00275   2.12484
   R70        2.11845  -0.00054  -0.00135  -0.00052  -0.00187   2.11658
   R71        2.63610  -0.00006  -0.00013  -0.00017  -0.00031   2.63579
   R72        2.07780   0.00017   0.00055  -0.00008   0.00047   2.07827
   R73        2.63549  -0.00013  -0.00018  -0.00020  -0.00039   2.63510
   R74        2.07843   0.00015   0.00042   0.00004   0.00045   2.07888
   R75        2.07755   0.00013   0.00039   0.00004   0.00044   2.07799
   R76        2.63658  -0.00010  -0.00020   0.00004  -0.00016   2.63643
   R77        2.07797   0.00016   0.00051   0.00006   0.00057   2.07854
   R78        2.63489  -0.00011  -0.00015  -0.00010  -0.00025   2.63464
   R79        2.07779   0.00015   0.00047   0.00006   0.00053   2.07832
   R80        2.07738   0.00011   0.00033   0.00013   0.00046   2.07784
   R81        2.65919   0.00005   0.00250  -0.00321  -0.00071   2.65848
   R82        2.65671   0.00086   0.00182   0.00123   0.00305   2.65976
   R83        2.64103   0.00075   0.00119   0.00138   0.00256   2.64359
   R84        2.79993  -0.00121  -0.00251   0.00083  -0.00169   2.79824
   R85        2.64512  -0.00024  -0.00042  -0.00153  -0.00196   2.64316
   R86        2.80007  -0.00075  -0.00223   0.00030  -0.00194   2.79813
   R87        2.63455  -0.00059  -0.00156  -0.00081  -0.00237   2.63217
   R88        2.07971   0.00008   0.00010   0.00024   0.00034   2.08005
   R89        2.62979   0.00102   0.00115   0.00088   0.00203   2.63183
   R90        2.07933   0.00010   0.00028  -0.00011   0.00017   2.07950
   R91        2.11093   0.00035   0.00087   0.00067   0.00154   2.11247
   R92        2.11649   0.00019   0.00073  -0.00005   0.00068   2.11717
   R93        2.11418   0.00015   0.00076  -0.00034   0.00043   2.11461
   R94        2.11116   0.00022   0.00079  -0.00024   0.00055   2.11172
   R95        2.11392   0.00026   0.00086   0.00000   0.00086   2.11478
   R96        2.11477   0.00033   0.00106   0.00010   0.00116   2.11593
   R97        2.07869   0.00005   0.00018   0.00000   0.00018   2.07887
    A1        1.87005   0.00225   0.00018   0.00974   0.00992   1.87996
    A2        1.98882   0.00057   0.00313  -0.00188   0.00125   1.99006
    A3        2.08330  -0.00020   0.00320  -0.01671  -0.01552   2.06778
    A4        2.06349   0.00018  -0.00353  -0.00444  -0.01020   2.05328
    A5        2.12048  -0.00009  -0.00499  -0.01017  -0.01461   2.10588
    A6        2.14267   0.00119   0.00063   0.00805   0.00877   2.15144
    A7        2.04930  -0.00042   0.00067  -0.00495  -0.00418   2.04512
    A8        2.07566  -0.00072   0.00217  -0.00406  -0.00179   2.07388
    A9        2.14598  -0.00120  -0.00368  -0.00463  -0.00784   2.13815
   A10        2.03768   0.00063   0.00291  -0.00403  -0.00064   2.03704
   A11        2.07547   0.00052   0.00259  -0.00578  -0.00269   2.07278
   A12        2.13892  -0.00028  -0.00207  -0.00265  -0.00444   2.13448
   A13        2.05092  -0.00003  -0.00129   0.00192   0.00019   2.05111
   A14        2.09335   0.00031   0.00200   0.00080   0.00230   2.09565
   A15        1.98173   0.00243   0.01141   0.00543   0.01691   1.99863
   A16        1.95226  -0.00112  -0.00101  -0.00328  -0.00410   1.94816
   A17        1.87585  -0.00021   0.00025   0.00308   0.00332   1.87917
   A18        1.90461  -0.00051   0.00360  -0.00816  -0.00452   1.90009
   A19        1.85808  -0.00089  -0.01060   0.00128  -0.00944   1.84864
   A20        1.88642   0.00023  -0.00525   0.00207  -0.00327   1.88315
   A21        2.00994  -0.00052   0.00185  -0.01467  -0.01284   1.99711
   A22        1.88882   0.00192   0.01181   0.01101   0.02269   1.91151
   A23        1.88507  -0.00095  -0.00925   0.00338  -0.00605   1.87902
   A24        1.92668  -0.00174  -0.00874  -0.00683  -0.01547   1.91121
   A25        1.86054   0.00090  -0.00267   0.00279   0.00009   1.86063
   A26        1.88909   0.00043   0.00717   0.00542   0.01257   1.90166
   A27        1.98923   0.00436   0.01334   0.00189   0.01516   2.00439
   A28        1.88389  -0.00047   0.00125   0.00345   0.00454   1.88842
   A29        1.88514  -0.00226  -0.01303  -0.00265  -0.01563   1.86950
   A30        1.90455  -0.00157  -0.00363   0.00587   0.00214   1.90669
   A31        1.92012  -0.00105  -0.00168  -0.00655  -0.00821   1.91191
   A32        1.87747   0.00085   0.00351  -0.00214   0.00136   1.87883
   A33        1.94496   0.00181   0.00118   0.01261   0.01383   1.95879
   A34        1.85807  -0.00028  -0.00126  -0.00209  -0.00323   1.85484
   A35        1.89259  -0.00043   0.00254  -0.00589  -0.00342   1.88917
   A36        1.95535  -0.00235  -0.00770  -0.00327  -0.01091   1.94443
   A37        1.91241   0.00076   0.00692  -0.00141   0.00547   1.91787
   A38        1.89847   0.00049  -0.00187  -0.00030  -0.00220   1.89626
   A39        1.91288  -0.00062  -0.00388  -0.00015  -0.00401   1.90887
   A40        1.93661  -0.00013   0.00045  -0.00056  -0.00012   1.93649
   A41        1.90090   0.00018  -0.00028   0.00208   0.00181   1.90271
   A42        1.90525   0.00083   0.00206   0.00241   0.00446   1.90971
   A43        1.89418  -0.00005   0.00050  -0.00162  -0.00107   1.89311
   A44        1.91354  -0.00022   0.00107  -0.00220  -0.00112   1.91242
   A45        1.95077   0.00034  -0.00103   0.00371   0.00268   1.95345
   A46        1.94999   0.00053   0.00396  -0.00318   0.00077   1.95076
   A47        1.88199  -0.00049  -0.00348  -0.00161  -0.00507   1.87691
   A48        1.90790  -0.00064  -0.00061  -0.00121  -0.00183   1.90607
   A49        1.86943   0.00024   0.00085   0.00113   0.00200   1.87143
   A50        1.90126   0.00000   0.00016   0.00132   0.00148   1.90274
   A51        1.96018   0.00067   0.00004   0.00736   0.00742   1.96760
   A52        1.91054   0.00036   0.00354  -0.00416  -0.00061   1.90993
   A53        1.88154  -0.00070  -0.00410  -0.00114  -0.00523   1.87631
   A54        1.92672  -0.00066  -0.00364   0.00030  -0.00336   1.92336
   A55        1.91172   0.00003   0.00111  -0.00292  -0.00178   1.90994
   A56        1.87044   0.00029   0.00321   0.00019   0.00338   1.87382
   A57        2.13433   0.00041  -0.00184   0.00191   0.00022   2.13455
   A58        2.13568  -0.00128  -0.00468  -0.00475  -0.00927   2.12641
   A59        2.01041   0.00085   0.00763   0.00226   0.01005   2.02046
   A60        1.99270  -0.00008  -0.00379   0.01112   0.00859   2.00129
   A61        1.89705  -0.00062   0.00049  -0.01458  -0.01445   1.88260
   A62        1.89210   0.00039   0.00204   0.00731   0.00897   1.90106
   A63        1.89957   0.00057  -0.00125   0.00412   0.00255   1.90212
   A64        1.89999  -0.00032   0.00179  -0.00921  -0.00783   1.89216
   A65        1.87934   0.00007   0.00098   0.00079   0.00195   1.88129
   A66        1.93984   0.00019  -0.00396   0.00313  -0.00035   1.93949
   A67        1.89865   0.00004   0.00182   0.00052   0.00221   1.90086
   A68        1.91945  -0.00036  -0.00057  -0.00416  -0.00481   1.91463
   A69        1.90722  -0.00027  -0.00139  -0.00071  -0.00221   1.90501
   A70        1.91829   0.00012  -0.00060   0.00177   0.00102   1.91931
   A71        1.87922   0.00029   0.00490  -0.00067   0.00432   1.88354
   A72        1.96588   0.00037   0.00297  -0.00169   0.00127   1.96714
   A73        1.90549   0.00024   0.00058   0.00183   0.00240   1.90789
   A74        1.88003  -0.00045  -0.00176  -0.00010  -0.00187   1.87816
   A75        1.93390  -0.00034  -0.00299   0.00161  -0.00138   1.93252
   A76        1.90883   0.00003  -0.00140   0.00209   0.00068   1.90951
   A77        1.86629   0.00014   0.00267  -0.00391  -0.00124   1.86505
   A78        2.10736   0.00039   0.00053   0.00803   0.00782   2.11518
   A79        2.08995  -0.00052  -0.00217  -0.00752  -0.01040   2.07956
   A80        2.08585   0.00013   0.00151  -0.00070   0.00188   2.08773
   A81        1.93209   0.00012   0.00064  -0.00004   0.00061   1.93269
   A82        1.91256   0.00004   0.00040  -0.00063  -0.00022   1.91233
   A83        1.93450  -0.00053  -0.00182  -0.00059  -0.00241   1.93209
   A84        1.89288   0.00000  -0.00032   0.00093   0.00061   1.89349
   A85        1.90130   0.00013  -0.00018   0.00010  -0.00008   1.90122
   A86        1.88952   0.00026   0.00132   0.00027   0.00159   1.89111
   A87        1.92973   0.00006  -0.00024   0.00075   0.00051   1.93024
   A88        1.94732  -0.00058  -0.00068  -0.00224  -0.00292   1.94440
   A89        1.91584   0.00001  -0.00052   0.00067   0.00016   1.91599
   A90        1.89126   0.00023   0.00069  -0.00018   0.00050   1.89176
   A91        1.89244   0.00001  -0.00015   0.00030   0.00016   1.89259
   A92        1.88584   0.00029   0.00094   0.00076   0.00170   1.88753
   A93        1.96329   0.00026  -0.00062  -0.00068  -0.00146   1.96183
   A94        1.89558  -0.00008   0.00119   0.00307   0.00430   1.89987
   A95        1.91019  -0.00007   0.00103  -0.00433  -0.00324   1.90695
   A96        1.90675   0.00001   0.00220   0.00017   0.00223   1.90898
   A97        1.90599  -0.00016  -0.00295   0.00039  -0.00234   1.90365
   A98        1.88022   0.00003  -0.00085   0.00149   0.00062   1.88084
   A99        2.09669  -0.00012   0.00071  -0.00219  -0.00149   2.09520
   A100       2.10275   0.00034  -0.00011   0.00252   0.00240   2.10515
   A101       2.08373  -0.00022  -0.00060  -0.00035  -0.00095   2.08278
   A102       2.09984   0.00009   0.00044   0.00081   0.00125   2.10109
   A103       2.10243  -0.00005  -0.00019  -0.00055  -0.00074   2.10169
   A104       2.08080  -0.00004  -0.00028  -0.00027  -0.00055   2.08025
   A105       2.13883  -0.00012  -0.00072  -0.00016  -0.00094   2.13790
   A106       2.06318   0.00006  -0.00026  -0.00178  -0.00210   2.06108
   A107       2.08087   0.00004   0.00022   0.00167   0.00183   2.08270
   A108       2.09962   0.00007   0.00014   0.00057   0.00071   2.10033
   A109       2.08969  -0.00003  -0.00035   0.00036   0.00001   2.08970
   A110       2.09387  -0.00004   0.00021  -0.00093  -0.00072   2.09315
   A111       2.09753   0.00001   0.00030  -0.00058  -0.00028   2.09725
   A112       2.09622   0.00013  -0.00078   0.00224   0.00145   2.09767
   A113       2.08942  -0.00014   0.00047  -0.00170  -0.00124   2.08818
   A114       2.10072   0.00000   0.00000   0.00014   0.00014   2.10086
   A115       2.08879  -0.00002  -0.00028   0.00053   0.00026   2.08905
   A116       2.09367   0.00002   0.00027  -0.00066  -0.00039   2.09328
   A117       2.10027   0.00002   0.00014   0.00011   0.00025   2.10052
   A118       2.09200  -0.00010  -0.00084   0.00050  -0.00034   2.09166
   A119       2.09092   0.00009   0.00069  -0.00060   0.00009   2.09101
   A120       1.94487  -0.00197  -0.00831   0.00674  -0.00152   1.94335
   A121       1.86931   0.00047   0.00608  -0.00764  -0.00161   1.86770
   A122       1.95290   0.00080   0.00161   0.00196   0.00373   1.95662
   A123       1.87832   0.00092   0.00576  -0.00223   0.00347   1.88179
   A124       1.89377   0.00008  -0.00295   0.00251  -0.00036   1.89341
   A125       1.92333  -0.00029  -0.00210  -0.00167  -0.00377   1.91956
   A126       2.09594   0.00009   0.00033  -0.00020   0.00013   2.09607
   A127       2.09238  -0.00005  -0.00022   0.00009  -0.00013   2.09225
   A128       2.09487  -0.00004  -0.00012   0.00011   0.00000   2.09487
   A129       2.09752   0.00009   0.00012   0.00071   0.00084   2.09836
   A130       2.08946  -0.00005   0.00018  -0.00098  -0.00080   2.08866
   A131       2.09620  -0.00004  -0.00030   0.00026  -0.00004   2.09616
   A132       2.09203  -0.00004  -0.00030  -0.00015  -0.00045   2.09158
   A133       2.09539   0.00002   0.00012  -0.00003   0.00010   2.09548
   A134       2.09577   0.00003   0.00018   0.00018   0.00035   2.09612
   A135       2.09644   0.00006   0.00028   0.00003   0.00032   2.09676
   A136       2.09234  -0.00004  -0.00032   0.00006  -0.00026   2.09208
   A137       2.09441  -0.00002   0.00003  -0.00009  -0.00006   2.09435
   A138       2.09688   0.00004   0.00016   0.00004   0.00020   2.09708
   A139       2.09190  -0.00002  -0.00009  -0.00004  -0.00013   2.09177
   A140       2.09441  -0.00002  -0.00007   0.00000  -0.00007   2.09434
   A141       2.09127  -0.00007  -0.00031  -0.00005  -0.00036   2.09091
   A142       2.09559   0.00004   0.00020  -0.00003   0.00017   2.09576
   A143       2.09633   0.00003   0.00011   0.00008   0.00019   2.09652
   A144       2.06228  -0.00225  -0.01117   0.00724  -0.00391   2.05837
   A145       2.10019   0.00168   0.00945  -0.00761   0.00184   2.10203
   A146       2.11628   0.00058   0.00203   0.00030   0.00234   2.11862
   A147       2.06833   0.00003   0.00004  -0.00077  -0.00073   2.06761
   A148       2.11525  -0.00115  -0.00478   0.00341  -0.00137   2.11387
   A149       2.09958   0.00112   0.00473  -0.00265   0.00208   2.10165
   A150       2.07228  -0.00083  -0.00365   0.00092  -0.00274   2.06954
   A151       2.11660   0.00002   0.00173  -0.00296  -0.00123   2.11536
   A152       2.09430   0.00080   0.00193   0.00205   0.00398   2.09828
   A153       2.10802  -0.00051  -0.00223   0.00076  -0.00146   2.10656
   A154       2.08587   0.00008  -0.00028   0.00007  -0.00021   2.08566
   A155       2.08929   0.00043   0.00251  -0.00083   0.00168   2.09097
   A156       2.10378   0.00027   0.00178  -0.00100   0.00078   2.10456
   A157       2.08394  -0.00004  -0.00023   0.00056   0.00033   2.08427
   A158       2.09545  -0.00023  -0.00155   0.00044  -0.00111   2.09434
   A159       1.94167  -0.00018  -0.00076   0.00024  -0.00052   1.94115
   A160       1.92126   0.00011   0.00091   0.00108   0.00199   1.92325
   A161       1.92514  -0.00025  -0.00122  -0.00048  -0.00169   1.92345
   A162       1.88860   0.00020   0.00205  -0.00154   0.00051   1.88912
   A163       1.89238   0.00028   0.00176  -0.00207  -0.00031   1.89207
   A164       1.89362  -0.00016  -0.00275   0.00278   0.00004   1.89366
   A165       1.93934  -0.00008  -0.00085   0.00101   0.00016   1.93950
   A166       1.92604  -0.00007   0.00036  -0.00080  -0.00044   1.92561
   A167       1.92186   0.00002   0.00052  -0.00051   0.00002   1.92188
   A168       1.89479   0.00012   0.00006   0.00124   0.00130   1.89609
   A169       1.89052   0.00005  -0.00018   0.00051   0.00034   1.89086
   A170       1.89012  -0.00003   0.00008  -0.00147  -0.00139   1.88873
   A171       2.09757   0.00046   0.00201  -0.00019   0.00182   2.09939
   A172       2.09092  -0.00013  -0.00003  -0.00038  -0.00040   2.09052
   A173       2.09468  -0.00033  -0.00198   0.00056  -0.00142   2.09327
    D1       -0.76794  -0.00082  -0.05366   0.17268   0.11903  -0.64890
    D2       -2.90473   0.00117  -0.04419   0.17051   0.12632  -2.77841
    D3        1.33838   0.00096  -0.04262   0.17490   0.13226   1.47064
    D4        2.41256  -0.00045   0.03506  -0.04658  -0.01156   2.40100
    D5       -1.82068  -0.00014   0.04094  -0.05016  -0.00917  -1.82985
    D6        0.28878   0.00028   0.04339  -0.05603  -0.01265   0.27613
    D7       -2.03569  -0.00005  -0.01735   0.00380  -0.01353  -2.04922
    D8        1.20559  -0.00017  -0.02116   0.00456  -0.01661   1.18898
    D9        0.78397   0.00007   0.07458   0.09518   0.16981   0.95378
   D10       -1.38110   0.00122   0.07548   0.10596   0.18162  -1.19947
   D11        2.86067   0.00021   0.06567   0.09190   0.15774   3.01841
   D12       -2.54546  -0.00058   0.09531  -0.08873   0.00636  -2.53910
   D13        1.57265   0.00057   0.09621  -0.07795   0.01817   1.59083
   D14       -0.46876  -0.00044   0.08640  -0.09201  -0.00571  -0.47447
   D15        2.68388  -0.00061  -0.00859  -0.09543  -0.10365   2.58023
   D16       -1.47521  -0.00038  -0.01240  -0.09336  -0.10528  -1.58050
   D17        0.56288  -0.00042  -0.00985  -0.09635  -0.10600   0.45688
   D18       -0.26354   0.00004  -0.02933   0.09408   0.06441  -0.19914
   D19        1.86055   0.00026  -0.03314   0.09614   0.06277   1.92332
   D20       -2.38454   0.00022  -0.03059   0.09315   0.06206  -2.32248
   D21        0.02169   0.00030   0.01084   0.09998   0.11103   0.13272
   D22       -3.12753   0.00066   0.00721   0.07051   0.07751  -3.05002
   D23        2.97124  -0.00037   0.03194  -0.08876  -0.05624   2.91500
   D24       -0.17798  -0.00002   0.02831  -0.11823  -0.08976  -0.26774
   D25       -1.16374   0.00012  -0.00350   0.04031   0.03680  -1.12694
   D26        2.95443  -0.00020  -0.01666   0.04963   0.03295   2.98738
   D27        0.88646   0.00029  -0.00985   0.04706   0.03723   0.92369
   D28        2.16869  -0.00009  -0.02747   0.04661   0.01914   2.18783
   D29        0.00367  -0.00041  -0.04063   0.05594   0.01529   0.01896
   D30       -2.06430   0.00008  -0.03383   0.05337   0.01957  -2.04473
   D31        0.17165   0.00016  -0.00794  -0.00423  -0.01218   0.15947
   D32       -3.04808  -0.00025   0.01590  -0.01265   0.00326  -3.04483
   D33        3.11966   0.00041   0.01623  -0.01069   0.00553   3.12519
   D34       -0.10007   0.00000   0.04008  -0.01912   0.02097  -0.07910
   D35       -1.73138  -0.00011  -0.05262   0.11136   0.05878  -1.67260
   D36        2.40755   0.00008  -0.05395   0.11255   0.05863   2.46618
   D37        0.31882   0.00007  -0.05429   0.11386   0.05960   0.37842
   D38        1.17340  -0.00023  -0.03087   0.04060   0.00971   1.18311
   D39       -0.97085  -0.00004  -0.03219   0.04179   0.00956  -0.96129
   D40       -3.05958  -0.00005  -0.03254   0.04311   0.01053  -3.04905
   D41       -0.06370  -0.00060   0.00175  -0.04910  -0.04737  -0.11107
   D42        3.10490   0.00027   0.02271  -0.03695  -0.01423   3.09067
   D43       -2.96363  -0.00048  -0.02045   0.02288   0.00242  -2.96120
   D44        0.20498   0.00039   0.00051   0.03503   0.03556   0.24053
   D45       -3.06482   0.00047  -0.02000   0.05133   0.03168  -3.03314
   D46        0.08433   0.00012  -0.01633   0.08043   0.06443   0.14876
   D47        0.07791   0.00006  -0.01014  -0.02686  -0.03653   0.04138
   D48       -3.05613  -0.00030  -0.00647   0.00225  -0.00378  -3.05991
   D49        0.43511  -0.00021   0.00722  -0.02369  -0.01622   0.41890
   D50        2.54793  -0.00009   0.01043  -0.02180  -0.01139   2.53654
   D51       -1.68689  -0.00014   0.01067  -0.02069  -0.01001  -1.69691
   D52       -2.70764   0.00021  -0.00312   0.05634   0.05368  -2.65396
   D53       -0.59482   0.00034   0.00009   0.05823   0.05851  -0.53631
   D54        1.45354   0.00029   0.00033   0.05934   0.05989   1.51343
   D55       -0.82912  -0.00012  -0.05147   0.00804  -0.04338  -0.87250
   D56        1.28947   0.00039  -0.04645   0.01921  -0.02719   1.26228
   D57       -2.96853  -0.00003  -0.04852   0.01712  -0.03135  -2.99988
   D58        1.36154  -0.00020  -0.04109   0.00133  -0.03984   1.32170
   D59       -2.80305   0.00031  -0.03608   0.01250  -0.02366  -2.82671
   D60       -0.77786  -0.00011  -0.03814   0.01041  -0.02782  -0.80568
   D61       -2.88962  -0.00066  -0.05122   0.00034  -0.05085  -2.94047
   D62       -0.77103  -0.00015  -0.04621   0.01152  -0.03466  -0.80569
   D63        1.25416  -0.00057  -0.04827   0.00942  -0.03882   1.21534
   D64       -0.98843   0.00081  -0.04253  -0.03622  -0.07876  -1.06720
   D65        1.15818   0.00068  -0.04466  -0.03375  -0.07840   1.07978
   D66       -3.09601   0.00083  -0.04125  -0.03637  -0.07760   3.10958
   D67        3.08712  -0.00115  -0.05960  -0.03472  -0.09433   2.99279
   D68       -1.04944  -0.00128  -0.06173  -0.03226  -0.09397  -1.14342
   D69        0.97955  -0.00113  -0.05832  -0.03487  -0.09317   0.88638
   D70        1.07324   0.00004  -0.04604  -0.03306  -0.07913   0.99411
   D71       -3.06333  -0.00008  -0.04817  -0.03059  -0.07877   3.14108
   D72       -1.03433   0.00006  -0.04476  -0.03321  -0.07797  -1.11230
   D73        3.11565  -0.00036  -0.03860  -0.02516  -0.06378   3.05187
   D74        1.01022  -0.00091  -0.03888  -0.02771  -0.06664   0.94358
   D75       -1.09770  -0.00067  -0.04031  -0.02598  -0.06635  -1.16405
   D76       -1.02253   0.00042  -0.02855  -0.02689  -0.05537  -1.07790
   D77       -3.12796  -0.00013  -0.02883  -0.02944  -0.05823   3.09700
   D78        1.04730   0.00011  -0.03025  -0.02771  -0.05794   0.98937
   D79        1.02537   0.00053  -0.02611  -0.02244  -0.04853   0.97684
   D80       -1.08006  -0.00003  -0.02639  -0.02499  -0.05139  -1.13145
   D81        3.09520   0.00021  -0.02781  -0.02326  -0.05110   3.04410
   D82        1.73793  -0.00019   0.06841  -0.07377  -0.00544   1.73249
   D83       -1.32545   0.00014   0.04446  -0.06567  -0.02126  -1.34672
   D84       -0.47625   0.00031   0.06389  -0.05826   0.00562  -0.47063
   D85        2.74355   0.00063   0.03994  -0.05015  -0.01021   2.73335
   D86       -2.50643  -0.00006   0.06782  -0.06098   0.00691  -2.49953
   D87        0.71337   0.00027   0.04387  -0.05287  -0.00892   0.70445
   D88        1.73253   0.00150  -0.00356   0.09661   0.09316   1.82569
   D89       -2.47087   0.00079  -0.00934   0.10034   0.09102  -2.37986
   D90       -0.36213   0.00039  -0.01209   0.09686   0.08481  -0.27731
   D91       -0.37456   0.00032  -0.01133   0.08669   0.07537  -0.29919
   D92        1.70522  -0.00039  -0.01711   0.09042   0.07322   1.77845
   D93       -2.46922  -0.00080  -0.01986   0.08693   0.06702  -2.40220
   D94       -2.43052   0.00083  -0.01242   0.08962   0.07724  -2.35328
   D95       -0.35074   0.00012  -0.01821   0.09336   0.07509  -0.27565
   D96        1.75801  -0.00029  -0.02095   0.08987   0.06889   1.82689
   D97       -1.20130   0.00021   0.00595   0.02598   0.03193  -1.16937
   D98        0.96673   0.00067   0.00985   0.02361   0.03346   1.00018
   D99        3.02415   0.00047   0.01020   0.02516   0.03536   3.05951
   D100       2.95166  -0.00042   0.00978   0.01376   0.02355   2.97521
   D101      -1.16350   0.00004   0.01368   0.01139   0.02508  -1.13842
   D102       0.89392  -0.00017   0.01403   0.01294   0.02698   0.92090
   D103       0.83486  -0.00019   0.00731   0.01784   0.02515   0.86001
   D104       3.00288   0.00027   0.01121   0.01547   0.02668   3.02956
   D105      -1.22288   0.00007   0.01156   0.01702   0.02858  -1.19430
   D106      -1.05578   0.00003   0.01309  -0.01518  -0.00209  -1.05787
   D107       3.14041  -0.00007   0.01283  -0.01591  -0.00308   3.13733
   D108       1.05607  -0.00008   0.01207  -0.01548  -0.00340   1.05266
   D109       1.06858   0.00001   0.01249  -0.01444  -0.00195   1.06663
   D110      -1.01841  -0.00009   0.01222  -0.01517  -0.00294  -1.02135
   D111      -3.10276  -0.00010   0.01147  -0.01474  -0.00326  -3.10602
   D112      -3.12977   0.00020   0.01531  -0.01665  -0.00134  -3.13111
   D113       1.06642   0.00010   0.01505  -0.01737  -0.00233   1.06410
   D114      -1.01792   0.00009   0.01430  -0.01694  -0.00265  -1.02057
   D115       0.91763  -0.00010   0.01725  -0.01904  -0.00179   0.91584
   D116      -1.18851  -0.00004   0.01700  -0.01781  -0.00081  -1.18932
   D117       3.00470  -0.00004   0.01659  -0.01777  -0.00117   3.00352
   D118      -1.19231   0.00021   0.02043  -0.02007   0.00036  -1.19195
   D119       2.98474   0.00027   0.02017  -0.01884   0.00134   2.98607
   D120       0.89476   0.00027   0.01977  -0.01880   0.00097   0.89573
   D121       3.01807  -0.00010   0.01790  -0.01824  -0.00034   3.01773
   D122       0.91193  -0.00005   0.01765  -0.01701   0.00064   0.91256
   D123      -1.17805  -0.00004   0.01725  -0.01697   0.00027  -1.17778
   D124      -1.13394   0.00027   0.05066  -0.05798  -0.00732  -1.14126
   D125       1.02217   0.00026   0.04929  -0.05575  -0.00645   1.01571
   D126       3.04276   0.00031   0.05179  -0.05947  -0.00768   3.03508
   D127       2.98077  -0.00008   0.04969  -0.05966  -0.00997   2.97080
   D128      -1.14632  -0.00009   0.04832  -0.05742  -0.00910  -1.15542
   D129       0.87428  -0.00004   0.05082  -0.06115  -0.01033   0.86395
   D130       0.94340  -0.00001   0.04891  -0.06108  -0.01218   0.93123
   D131       3.09951  -0.00002   0.04754  -0.05885  -0.01131   3.08819
   D132      -1.16308   0.00003   0.05004  -0.06257  -0.01254  -1.17562
   D133      -1.49308   0.00015  -0.00546  -0.08712  -0.09260  -1.58568
   D134       1.65355   0.00023  -0.00443  -0.08232  -0.08676   1.56679
   D135       2.65262  -0.00030  -0.00743  -0.08715  -0.09458   2.55804
   D136      -0.48394  -0.00022  -0.00640  -0.08235  -0.08874  -0.57268
   D137       0.59701  -0.00028  -0.00983  -0.08580  -0.09563   0.50139
   D138      -2.53954  -0.00020  -0.00880  -0.08099  -0.08979  -2.62933
   D139       0.75490  -0.00012   0.01877  -0.03511  -0.01635   0.73855
   D140       2.85555  -0.00032   0.01581  -0.03371  -0.01788   2.83767
   D141      -1.37343  -0.00016   0.02254  -0.03661  -0.01413  -1.38756
   D142      -1.36780   0.00031   0.02156  -0.02689  -0.00541  -1.37322
   D143       0.73285   0.00012   0.01860  -0.02549  -0.00694   0.72591
   D144       2.78705   0.00028   0.02534  -0.02839  -0.00319   2.78386
   D145       2.87154   0.00008   0.02010  -0.02499  -0.00479   2.86674
   D146      -1.31100  -0.00011   0.01714  -0.02359  -0.00632  -1.31732
   D147       0.74320   0.00005   0.02387  -0.02649  -0.00257   0.74063
   D148      -0.83260   0.00004  -0.00831   0.00243  -0.00603  -0.83864
   D149      -2.93901  -0.00003  -0.01095  -0.00113  -0.01205  -2.95107
   D150       1.29179   0.00001  -0.00949  -0.00325  -0.01274   1.27905
   D151      -2.92818   0.00005  -0.00725   0.00028  -0.00712  -2.93531
   D152       1.24859  -0.00002  -0.00989  -0.00327  -0.01314   1.23545
   D153      -0.80379   0.00003  -0.00844  -0.00539  -0.01383  -0.81762
   D154       1.29640  -0.00021  -0.01203   0.00047  -0.01165   1.28475
   D155      -0.81001  -0.00028  -0.01467  -0.00308  -0.01767  -0.82768
   D156      -2.86239  -0.00023  -0.01322  -0.00520  -0.01836  -2.88075
   D157      -1.17505   0.00017  -0.02552   0.03744   0.01192  -1.16312
   D158       1.98309   0.00020  -0.02376   0.03855   0.01479   1.99788
   D159       2.96790  -0.00015  -0.02617   0.03509   0.00891   2.97682
   D160      -0.15715  -0.00012  -0.02442   0.03620   0.01178  -0.14537
   D161       0.91485  -0.00013  -0.02681   0.03764   0.01084   0.92569
   D162      -2.21020  -0.00011  -0.02505   0.03875   0.01370  -2.19649
   D163      -3.13544   0.00007   0.00139   0.00553   0.00692  -3.12852
   D164       0.00405   0.00007   0.00141   0.00404   0.00544   0.00949
   D165       0.00118   0.00000   0.00038   0.00079   0.00117   0.00234
   D166       3.14067   0.00000   0.00039  -0.00071  -0.00032   3.14035
   D167       3.13657  -0.00009  -0.00118  -0.00581  -0.00700   3.12957
   D168      -0.00995  -0.00005  -0.00141  -0.01471  -0.01612  -0.02607
   D169      -0.00002  -0.00001  -0.00016  -0.00104  -0.00120  -0.00122
   D170       3.13664   0.00003  -0.00039  -0.00993  -0.01032   3.12632
   D171      -3.12824   0.00005   0.00338  -0.00131   0.00208  -3.12616
   D172       0.01728   0.00005   0.00453  -0.00427   0.00026   0.01754
   D173      -0.00298   0.00002   0.00165  -0.00241  -0.00075  -0.00374
   D174      -3.14065   0.00002   0.00279  -0.00537  -0.00257   3.13996
   D175       3.12638  -0.00005  -0.00313   0.00074  -0.00239   3.12398
   D176      -0.01468  -0.00003  -0.00325   0.00089  -0.00236  -0.01704
   D177       0.00115  -0.00003  -0.00141   0.00183   0.00042   0.00157
   D178      -3.13991  -0.00001  -0.00152   0.00198   0.00046  -3.13945
   D179       2.75658   0.00055   0.03011  -0.00916   0.02101   2.77759
   D180       0.71209   0.00052   0.02406  -0.00232   0.02171   0.73381
   D181      -1.36888   0.00032   0.02500  -0.00047   0.02445  -1.34443
   D182      -0.41085  -0.00028   0.01001  -0.02075  -0.01065  -0.42150
   D183      -2.45534  -0.00031   0.00397  -0.01392  -0.00995  -2.46529
   D184       1.74687  -0.00052   0.00490  -0.01206  -0.00721   1.73966
   D185      -0.00112   0.00002  -0.00025   0.00031   0.00005  -0.00107
   D186       3.13975   0.00000  -0.00010  -0.00003  -0.00013   3.13962
   D187      -3.14061   0.00001  -0.00026   0.00180   0.00154  -3.13907
   D188       0.00027   0.00000  -0.00011   0.00147   0.00136   0.00162
   D189      -0.00118   0.00002  -0.00017   0.00019   0.00001  -0.00117
   D190       3.13729   0.00004   0.00019  -0.00154  -0.00136   3.13594
   D191      -3.13786  -0.00003   0.00004   0.00904   0.00908  -3.12878
   D192       0.00061   0.00000   0.00041   0.00731   0.00771   0.00832
   D193       0.00259   0.00000  -0.00054   0.00108   0.00054   0.00314
   D194      -3.13737  -0.00001  -0.00059   0.00057  -0.00002  -3.13738
   D195       3.14025   0.00000  -0.00169   0.00405   0.00236  -3.14057
   D196       0.00030  -0.00001  -0.00174   0.00354   0.00181   0.00210
   D197       0.00108   0.00001   0.00005   0.00008   0.00013   0.00121
   D198      -3.14077   0.00001   0.00015   0.00013   0.00028  -3.14050
   D199      -3.14105  -0.00001   0.00016  -0.00008   0.00009  -3.14096
   D200       0.00028   0.00000   0.00026  -0.00002   0.00024   0.00053
   D201      -0.00009  -0.00001  -0.00009  -0.00116  -0.00125  -0.00133
   D202       3.14154  -0.00002   0.00032  -0.00044  -0.00012   3.14142
   D203      -3.14096   0.00000  -0.00024  -0.00083  -0.00107   3.14116
   D204       0.00067  -0.00001   0.00017  -0.00011   0.00006   0.00073
   D205       0.00124  -0.00001   0.00030   0.00092   0.00122   0.00245
   D206      -3.14039   0.00001  -0.00011   0.00020   0.00009  -3.14030
   D207      -3.13722  -0.00003  -0.00006   0.00266   0.00259  -3.13463
   D208       0.00433  -0.00002  -0.00047   0.00194   0.00146   0.00580
   D209      -0.00034  -0.00002  -0.00084   0.00085   0.00001  -0.00033
   D210       3.14110   0.00000  -0.00020   0.00049   0.00029   3.14139
   D211       3.13962  -0.00001  -0.00078   0.00135   0.00057   3.14019
   D212      -0.00213   0.00001  -0.00015   0.00100   0.00085  -0.00128
   D213      -0.00149   0.00001   0.00108  -0.00142  -0.00034  -0.00184
   D214       3.14026   0.00000   0.00044  -0.00107  -0.00063   3.13963
   D215       3.14036   0.00001   0.00098  -0.00147  -0.00049   3.13987
   D216      -0.00108  -0.00001   0.00034  -0.00112  -0.00078  -0.00185
   D217      -3.04652  -0.00018  -0.00794   0.00239  -0.00563  -3.05215
   D218       0.08667  -0.00017  -0.00907   0.00057  -0.00857   0.07810
   D219      -0.00559   0.00000  -0.00372   0.00116  -0.00254  -0.00813
   D220       3.12761   0.00001  -0.00485  -0.00067  -0.00549   3.12212
   D221       3.05313  -0.00006   0.00524  -0.00243   0.00273   3.05586
   D222      -0.08229  -0.00010   0.00384  -0.00447  -0.00070  -0.08299
   D223       0.01436  -0.00002   0.00190  -0.00202  -0.00010   0.01426
   D224      -3.12106  -0.00006   0.00050  -0.00406  -0.00353  -3.12459
   D225      -0.00716   0.00002   0.00286   0.00050   0.00335  -0.00381
   D226       3.13528   0.00005   0.00318  -0.00066   0.00253   3.13781
   D227      -3.14044   0.00002   0.00403   0.00228   0.00629  -3.13414
   D228       0.00201   0.00005   0.00435   0.00112   0.00547   0.00748
   D229      -2.96282   0.00009   0.01212  -0.01046   0.00166  -2.96116
   D230       1.22697  -0.00012   0.00944  -0.00939   0.00004   1.22702
   D231      -0.86212   0.00016   0.01303  -0.01322  -0.00019  -0.86231
   D232       0.17023   0.00010   0.01095  -0.01231  -0.00135   0.16887
   D233      -1.92316  -0.00012   0.00827  -0.01124  -0.00297  -1.92614
   D234       2.27093   0.00016   0.01185  -0.01507  -0.00321   2.26773
   D235      -0.01058   0.00002   0.00076   0.00126   0.00200  -0.00858
   D236       3.13608   0.00002   0.00115  -0.00060   0.00054   3.13662
   D237       3.12493   0.00005   0.00214   0.00325   0.00537   3.13030
   D238      -0.01161   0.00005   0.00253   0.00140   0.00392  -0.00769
   D239       2.83069   0.00000  -0.01023   0.02006   0.00982   2.84051
   D240       0.72788  -0.00005  -0.00999   0.01837   0.00838   0.73626
   D241      -1.35781   0.00002  -0.01066   0.02102   0.01036  -1.34745
   D242      -0.30466  -0.00003  -0.01164   0.01800   0.00636  -0.29829
   D243      -2.40746  -0.00008  -0.01140   0.01631   0.00491  -2.40255
   D244       1.79003  -0.00001  -0.01206   0.01896   0.00690   1.79693
   D245       0.01093  -0.00002  -0.00029  -0.00126  -0.00153   0.00940
   D246      -3.13624   0.00004   0.00132  -0.00182  -0.00049  -3.13673
   D247      -3.13151  -0.00005  -0.00062  -0.00010  -0.00071  -3.13223
   D248       0.00450   0.00001   0.00099  -0.00066   0.00033   0.00483
   D249      -0.00185   0.00000  -0.00157   0.00036  -0.00120  -0.00304
   D250      -3.13785  -0.00006  -0.00318   0.00093  -0.00224  -3.14010
   D251       3.13466   0.00000  -0.00195   0.00223   0.00027   3.13493
   D252      -0.00135  -0.00006  -0.00356   0.00280  -0.00077  -0.00212
         Item               Value     Threshold  Converged?
 Maximum Force            0.004364     0.000450     NO 
 RMS     Force            0.000560     0.000300     NO 
 Maximum Displacement     0.989590     0.001800     NO 
 RMS     Displacement     0.182239     0.001200     NO 
 Predicted change in Energy=-9.152459D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.041923   -0.123952   -1.572832
      2          8           0       -3.356706    0.100369   -2.489650
      3          8           0       -3.461756   -2.278933    1.537928
      4          8           0        1.932957    1.674496    2.226883
      5          8           0        3.563855   -1.329080    1.220290
      6          7           0       -3.154754   -2.669392   -0.739442
      7          7           0       -3.155762    0.388749   -0.220316
      8          7           0        2.144766    0.785252    0.116490
      9          7           0       -1.735454   -3.660157    0.952680
     10          6           0       -2.649446    1.740804   -0.279647
     11          6           0       -4.197566   -1.707997   -1.051288
     12          6           0       -1.321847    1.892686   -1.043887
     13          6           0       -0.227343    0.921124   -0.624096
     14          6           0       -5.095586   -2.105049   -2.237118
     15          6           0        1.148580    1.638214   -0.490217
     16          6           0       -2.486844    2.349016    1.128231
     17          6           0       -3.555517   -0.314383   -1.328261
     18          6           0       -2.248013   -3.067810   -1.791607
     19          6           0       -0.833093   -3.399975   -1.321856
     20          6           0        1.594730    2.141430   -1.875843
     21          6           0       -2.800326   -2.834384    0.617096
     22          6           0       -6.215237   -1.091732   -2.381746
     23          6           0       -5.688441   -3.485291   -2.030018
     24          6           0       -0.859088   -4.220248   -0.035046
     25          6           0       -3.773160    2.431887    1.870748
     26          6           0        2.779797    3.036402   -1.807185
     27          6           0        2.429768    0.823101    1.458931
     28          6           0       -4.562714    3.584754    1.778947
     29          6           0       -4.201476    1.369236    2.676388
     30          6           0        2.684487    4.292546   -1.194433
     31          6           0        3.997860    2.644152   -2.374185
     32          6           0        3.449075   -0.157744    2.035391
     33          6           0       -5.761135    3.675126    2.484191
     34          6           0       -5.401981    1.462748    3.379619
     35          6           0       -6.182336    2.614613    3.286297
     36          6           0        3.790381    5.138628   -1.146464
     37          6           0        5.102746    3.493451   -2.327393
     38          6           0        5.001675    4.740884   -1.713009
     39          6           0        4.874470   -1.762191    1.031063
     40          6           0        5.384343   -1.766536   -0.280089
     41          6           0        5.613888   -2.288369    2.106892
     42          6           0        6.658850   -2.300485   -0.498102
     43          6           0        6.887672   -2.807332    1.852880
     44          6           0        4.591251   -1.233612   -1.411314
     45          6           0        5.064486   -2.301055    3.481843
     46          6           0        7.406332   -2.811413    0.560366
     47          1           0       -3.407806    2.368180   -0.845209
     48          1           0       -4.875698   -1.628084   -0.142811
     49          1           0       -1.531483    1.763307   -2.141319
     50          1           0       -0.969285    2.945581   -0.886909
     51          1           0       -0.489083    0.453894    0.369661
     52          1           0       -4.482190   -2.095817   -3.180957
     53          1           0        0.997932    2.528041    0.194876
     54          1           0       -3.354460    0.014311    0.686567
     55          1           0       -1.740209    1.745922    1.711898
     56          1           0       -2.060377    3.380407    1.003436
     57          1           0       -2.687288   -3.973379   -2.302873
     58          1           0       -2.184819   -2.236750   -2.555300
     59          1           0       -0.313921   -3.987062   -2.121108
     60          1           0       -0.254931   -2.450044   -1.159828
     61          1           0        1.799658    1.260804   -2.542713
     62          1           0        0.731243    2.699440   -2.329077
     63          1           0       -6.843117   -1.061883   -1.458792
     64          1           0       -6.866456   -1.374277   -3.244212
     65          1           0       -5.802227   -0.071409   -2.572291
     66          1           0       -6.193407   -3.550887   -1.035843
     67          1           0       -4.903841   -4.277086   -2.079236
     68          1           0       -6.444989   -3.695071   -2.825210
     69          1           0        0.182806   -4.278145    0.392917
     70          1           0       -1.192107   -5.272560   -0.274845
     71          1           0        2.442992   -0.002240   -0.414480
     72          1           0       -1.558088   -3.809806    1.915731
     73          1           0       -0.911635   -0.363815   -1.919921
     74          1           0       -4.231949    4.423817    1.148974
     75          1           0       -3.597841    0.448978    2.747583
     76          1           0        1.730476    4.609958   -0.747407
     77          1           0        4.084203    1.660517   -2.860048
     78          1           0        3.073921   -0.492348    3.041180
     79          1           0        4.428258    0.373912    2.149584
     80          1           0       -6.374367    4.584874    2.408006
     81          1           0       -5.733285    0.621113    4.005801
     82          1           0       -7.128058    2.686578    3.842714
     83          1           0        3.707380    6.121513   -0.659780
     84          1           0        6.055603    3.177301   -2.776473
     85          1           0        5.873790    5.409427   -1.674784
     86          1           0        7.072946   -2.315744   -1.517838
     87          1           0        7.479795   -3.217920    2.684589
     88          1           0        5.066181   -1.483919   -2.391836
     89          1           0        4.510093   -0.118773   -1.335462
     90          1           0        3.559438   -1.666445   -1.397748
     91          1           0        5.627087   -3.013220    4.133797
     92          1           0        3.987307   -2.604117    3.467319
     93          1           0        5.134504   -1.279078    3.933948
     94          1           0        8.408850   -3.223526    0.372436
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0834034      0.0406738      0.0348761
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3221.9854338848 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.244722776729     A.U. after   15 cycles
             Convg  =    0.8068D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000311122    0.001146126    0.000276302
      2        8           0.001426079   -0.000002472   -0.000611319
      3        8          -0.000212603   -0.003627638    0.002347404
      4        8          -0.000456514    0.000145233    0.000060287
      5        8          -0.001009258   -0.000983411    0.000681002
      6        7          -0.002572413    0.002260957   -0.002072315
      7        7           0.001995693    0.002188997   -0.000038994
      8        7          -0.000535374   -0.000583876    0.000115714
      9        7           0.000877585   -0.000452925    0.001340767
     10        6          -0.000425573   -0.000044585   -0.001782122
     11        6           0.002945187   -0.002459684   -0.002414479
     12        6          -0.000769961   -0.000465010    0.000646316
     13        6           0.000350082    0.000668622    0.000470157
     14        6          -0.000320700    0.001614822    0.002659821
     15        6           0.001322164   -0.000725024   -0.000903417
     16        6           0.000047655    0.000330218   -0.000598132
     17        6          -0.000554353    0.001160866    0.001713307
     18        6           0.000681288   -0.001468798    0.000330306
     19        6          -0.000437839   -0.000231513   -0.000159675
     20        6           0.000149972   -0.000066062    0.000151114
     21        6          -0.001947655    0.002635866   -0.001987268
     22        6          -0.000237731   -0.000042175   -0.000092256
     23        6          -0.000305778   -0.000480205    0.000080601
     24        6          -0.000224824    0.000055680   -0.000705414
     25        6           0.000495129    0.000095055    0.000719036
     26        6          -0.000123234   -0.000029514    0.000080687
     27        6           0.000388681   -0.000457930   -0.000289480
     28        6           0.000330954   -0.000040596   -0.000190852
     29        6          -0.000466717   -0.000086227    0.000989721
     30        6          -0.000045636   -0.000013576    0.000185360
     31        6           0.000095180    0.000000661   -0.000066016
     32        6           0.000538889    0.001080582   -0.000236979
     33        6           0.000012036    0.000060097   -0.000040971
     34        6           0.000358142   -0.000078189    0.000275487
     35        6          -0.000123422    0.000027541   -0.000023159
     36        6          -0.000010916    0.000039672    0.000019814
     37        6          -0.000011040    0.000076591    0.000050482
     38        6          -0.000007471   -0.000038041   -0.000054416
     39        6           0.000885307    0.000891587   -0.000862200
     40        6          -0.000461502   -0.000495146    0.000858068
     41        6          -0.000202392   -0.000126196   -0.000135313
     42        6           0.000153760   -0.000019509    0.000072710
     43        6          -0.000089252   -0.000079011   -0.000106265
     44        6           0.000359862   -0.000007618   -0.000097374
     45        6          -0.000074773   -0.000097181    0.000118930
     46        6          -0.000127885   -0.000048114    0.000166991
     47        1          -0.000064361    0.000159803    0.000046125
     48        1           0.000811376   -0.000950054   -0.000336974
     49        1           0.000135262    0.000142027    0.000115057
     50        1          -0.000905972   -0.000218645    0.000131164
     51        1           0.000409424   -0.000229885    0.000466193
     52        1           0.000513447   -0.000243115   -0.000206447
     53        1          -0.000043771    0.000165512    0.000396271
     54        1          -0.000380843   -0.001440242    0.001866010
     55        1          -0.000183528    0.000264333   -0.000689056
     56        1           0.000106561   -0.000002850   -0.000074165
     57        1          -0.000313459    0.000552892   -0.000108179
     58        1          -0.000445188   -0.000016140    0.000613819
     59        1          -0.000142986    0.000092554   -0.000082482
     60        1           0.000340707    0.000069399    0.000263249
     61        1          -0.000004016    0.000081468   -0.000161993
     62        1          -0.000005193   -0.000429926   -0.000297073
     63        1          -0.000126447   -0.000036265    0.000043430
     64        1          -0.000051267    0.000033423   -0.000156277
     65        1           0.000202622   -0.000050022   -0.000045307
     66        1          -0.000060801   -0.000175802    0.000011438
     67        1           0.000096569   -0.000404476   -0.000042357
     68        1          -0.000014841   -0.000103800   -0.000055080
     69        1          -0.000165728    0.000192963    0.000165709
     70        1           0.000039021    0.000137912    0.000048322
     71        1           0.000098801    0.000315723    0.000129385
     72        1          -0.000033535   -0.000184777   -0.000502744
     73        1          -0.001187562    0.000551823   -0.000261149
     74        1          -0.000074297    0.000009052    0.000020145
     75        1          -0.000081476    0.000230033   -0.001476702
     76        1           0.000135433    0.000047335   -0.000007033
     77        1           0.000019445    0.000073293   -0.000069902
     78        1          -0.000063080   -0.000168806   -0.000063986
     79        1          -0.000142239   -0.000207880   -0.000012237
     80        1          -0.000033684   -0.000006253    0.000005617
     81        1           0.000063404    0.000058561   -0.000154114
     82        1           0.000038875   -0.000003767   -0.000028548
     83        1           0.000006406    0.000012092    0.000019661
     84        1          -0.000003251    0.000023019   -0.000001360
     85        1          -0.000018905    0.000035901    0.000031047
     86        1          -0.000185990    0.000058639   -0.000071916
     87        1           0.000122260    0.000003780    0.000094692
     88        1           0.000107788    0.000083722   -0.000153491
     89        1           0.000101274    0.000059500    0.000065336
     90        1          -0.000210519    0.000118866   -0.000269437
     91        1          -0.000011034    0.000014936    0.000030817
     92        1           0.000046614    0.000016999   -0.000008170
     93        1           0.000100251    0.000017587   -0.000040934
     94        1           0.000110726    0.000020614   -0.000128344
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003627638 RMS     0.000707421

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004582246 RMS     0.000711547
 Search for a local minimum.
 Step number  17 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   16   17
 DE=  8.40D-05 DEPred=-9.15D-04 R=-9.18D-02
 Trust test=-9.18D-02 RLast= 6.92D-01 DXMaxT set to 5.11D-01
     Eigenvalues ---    0.00150   0.00216   0.00224   0.00230   0.00237
     Eigenvalues ---    0.00250   0.00266   0.00310   0.00346   0.00377
     Eigenvalues ---    0.00422   0.00471   0.00483   0.00494   0.00537
     Eigenvalues ---    0.00552   0.00678   0.00787   0.01033   0.01084
     Eigenvalues ---    0.01282   0.01339   0.01382   0.01396   0.01411
     Eigenvalues ---    0.01439   0.01443   0.01507   0.01545   0.01621
     Eigenvalues ---    0.01947   0.01997   0.02021   0.02087   0.02108
     Eigenvalues ---    0.02121   0.02131   0.02144   0.02149   0.02150
     Eigenvalues ---    0.02154   0.02161   0.02169   0.02172   0.02172
     Eigenvalues ---    0.02175   0.02176   0.02179   0.02180   0.02182
     Eigenvalues ---    0.02182   0.02186   0.02187   0.02188   0.02254
     Eigenvalues ---    0.02304   0.02444   0.02856   0.03069   0.03460
     Eigenvalues ---    0.03523   0.03702   0.03831   0.03922   0.03960
     Eigenvalues ---    0.04007   0.04267   0.04360   0.04401   0.04636
     Eigenvalues ---    0.04773   0.04827   0.04917   0.05030   0.05060
     Eigenvalues ---    0.05168   0.05372   0.05390   0.05414   0.05469
     Eigenvalues ---    0.05561   0.05617   0.05627   0.05655   0.05672
     Eigenvalues ---    0.05784   0.05932   0.06181   0.06733   0.06966
     Eigenvalues ---    0.07104   0.07109   0.07254   0.07365   0.07516
     Eigenvalues ---    0.07618   0.08042   0.08246   0.08658   0.09229
     Eigenvalues ---    0.09301   0.09381   0.09693   0.10995   0.11611
     Eigenvalues ---    0.12162   0.12449   0.12768   0.12872   0.14077
     Eigenvalues ---    0.15605   0.15768   0.15867   0.15958   0.15985
     Eigenvalues ---    0.15988   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16005   0.16010
     Eigenvalues ---    0.16013   0.16031   0.16120   0.16247   0.16411
     Eigenvalues ---    0.16649   0.16824   0.17195   0.18032   0.18492
     Eigenvalues ---    0.19096   0.19887   0.20352   0.20788   0.21689
     Eigenvalues ---    0.21860   0.21945   0.21978   0.21998   0.22000
     Eigenvalues ---    0.22000   0.22004   0.22118   0.22431   0.23129
     Eigenvalues ---    0.23396   0.23468   0.23509   0.23734   0.23793
     Eigenvalues ---    0.24630   0.24774   0.24909   0.24971   0.24987
     Eigenvalues ---    0.25012   0.25028   0.25126   0.25435   0.25674
     Eigenvalues ---    0.26540   0.26784   0.27004   0.27106   0.27644
     Eigenvalues ---    0.27799   0.28251   0.28457   0.28715   0.28952
     Eigenvalues ---    0.29789   0.29829   0.30045   0.30279   0.30610
     Eigenvalues ---    0.31483   0.32261   0.32776   0.33457   0.34395
     Eigenvalues ---    0.34447   0.34473   0.34517   0.34586   0.34635
     Eigenvalues ---    0.34641   0.34661   0.34700   0.34708   0.34734
     Eigenvalues ---    0.34735   0.34736   0.34746   0.34749   0.34754
     Eigenvalues ---    0.34764   0.34775   0.34787   0.34793   0.34802
     Eigenvalues ---    0.34811   0.34821   0.34823   0.34832   0.34843
     Eigenvalues ---    0.34868   0.34877   0.34917   0.35025   0.35384
     Eigenvalues ---    0.35777   0.35882   0.35903   0.35924   0.35944
     Eigenvalues ---    0.35967   0.35982   0.35984   0.35995   0.36002
     Eigenvalues ---    0.36025   0.36032   0.36061   0.36189   0.37565
     Eigenvalues ---    0.39209   0.39481   0.40937   0.42181   0.42246
     Eigenvalues ---    0.42304   0.42342   0.42536   0.43010   0.44875
     Eigenvalues ---    0.45675   0.45896   0.46053   0.46077   0.46128
     Eigenvalues ---    0.46139   0.46205   0.46338   0.46414   0.46635
     Eigenvalues ---    0.46764   0.46765   0.46930   0.47180   0.47318
     Eigenvalues ---    0.48836   0.50317   0.52964   0.54170   0.55515
     Eigenvalues ---    0.57879   0.60743   0.90112   0.90498   0.92795
     Eigenvalues ---    0.968391000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    17   16   15   14   13
 RFO step:  Lambda=-6.16537020D-04.
 DIIS coeffs:      0.37309      0.90690     -0.32901     -0.82637      0.87539
 Iteration  1 RMS(Cart)=  0.10937552 RMS(Int)=  0.00150401
 Iteration  2 RMS(Cart)=  0.00455084 RMS(Int)=  0.00037218
 Iteration  3 RMS(Cart)=  0.00000789 RMS(Int)=  0.00037216
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00037216
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69023  -0.00059  -0.00064   0.00179   0.00115   2.69138
    R2        1.82670   0.00086  -0.00004   0.00043   0.00039   1.82709
    R3        2.36055  -0.00085  -0.00136   0.00176   0.00040   2.36095
    R4        2.38581  -0.00345  -0.00207   0.00190  -0.00017   2.38564
    R5        2.36136   0.00023   0.00021  -0.00018   0.00004   2.36140
    R6        2.70541  -0.00002   0.00010  -0.00013  -0.00003   2.70538
    R7        2.63283   0.00024   0.00001   0.00049   0.00050   2.63333
    R8        2.74432  -0.00458  -0.00371  -0.00155  -0.00527   2.73906
    R9        2.73062   0.00063  -0.00053   0.00116   0.00037   2.73099
   R10        2.66782  -0.00223  -0.00452   0.00522   0.00045   2.66827
   R11        2.73059   0.00048   0.00046   0.00083   0.00129   2.73188
   R12        2.59226  -0.00006   0.00241  -0.00296  -0.00055   2.59171
   R13        1.89173  -0.00220  -0.00217   0.00072  -0.00145   1.89028
   R14        2.73065  -0.00057  -0.00233   0.00208  -0.00024   2.73041
   R15        2.59437   0.00017  -0.00129   0.00242   0.00113   2.59550
   R16        1.88121   0.00015  -0.00084   0.00129   0.00044   1.88166
   R17        2.62425   0.00053   0.00168  -0.00128   0.00040   2.62465
   R18        2.71050  -0.00033   0.00008  -0.00072  -0.00039   2.71011
   R19        1.87199   0.00027   0.00054  -0.00045   0.00010   1.87209
   R20        2.90898  -0.00070  -0.00173   0.00450   0.00277   2.91176
   R21        2.91440   0.00144  -0.00234   0.00577   0.00344   2.91783
   R22        2.14513   0.00006  -0.00021   0.00069   0.00048   2.14561
   R23        2.90937   0.00207   0.00191   0.00011   0.00203   2.91140
   R24        2.94646  -0.00358  -0.00058  -0.00474  -0.00532   2.94114
   R25        2.14763  -0.00073   0.00007  -0.00097  -0.00090   2.14673
   R26        2.87716   0.00016   0.00245  -0.00049   0.00196   2.87913
   R27        2.12545   0.00001  -0.00026   0.00109   0.00082   2.12628
   R28        2.11913   0.00035  -0.00126   0.00230   0.00104   2.12017
   R29        2.94294   0.00162  -0.00165   0.00510   0.00345   2.94639
   R30        2.13327  -0.00025  -0.00105   0.00125   0.00020   2.13347
   R31        2.86675   0.00024   0.00059  -0.00120  -0.00061   2.86614
   R32        2.86556  -0.00105  -0.00188   0.00093  -0.00094   2.86462
   R33        2.12724   0.00015   0.00020  -0.00001   0.00019   2.12743
   R34        2.91057   0.00005  -0.00043   0.00113   0.00070   2.91127
   R35        2.14119  -0.00035  -0.00029   0.00009  -0.00020   2.14098
   R36        2.81107  -0.00008  -0.00008  -0.00026  -0.00034   2.81072
   R37        2.12277   0.00001  -0.00040   0.00078   0.00037   2.12315
   R38        2.12224   0.00000  -0.00034   0.00069   0.00036   2.12259
   R39        2.88640  -0.00033   0.00070  -0.00135  -0.00063   2.88576
   R40        2.13331   0.00013   0.00060  -0.00062  -0.00002   2.13329
   R41        2.13621   0.00037  -0.00056   0.00151   0.00095   2.13716
   R42        2.88417   0.00048   0.00119  -0.00070   0.00072   2.88489
   R43        2.11532  -0.00017   0.00011  -0.00010   0.00000   2.11532
   R44        2.12365  -0.00027  -0.00141   0.00202   0.00061   2.12425
   R45        2.80933  -0.00028  -0.00028  -0.00037  -0.00065   2.80867
   R46        2.12307  -0.00015  -0.00038   0.00052   0.00013   2.12321
   R47        2.12324  -0.00007  -0.00031   0.00063   0.00032   2.12356
   R48        2.11021  -0.00003  -0.00017   0.00049   0.00032   2.11053
   R49        2.11089  -0.00011  -0.00026   0.00047   0.00020   2.11109
   R50        2.11104  -0.00001  -0.00007   0.00036   0.00029   2.11133
   R51        2.11081  -0.00014  -0.00006   0.00016   0.00010   2.11091
   R52        2.10851   0.00013  -0.00031   0.00080   0.00049   2.10900
   R53        2.11168  -0.00006   0.00008   0.00004   0.00012   2.11180
   R54        2.13133  -0.00028   0.00013  -0.00025  -0.00012   2.13121
   R55        2.13444   0.00013   0.00029   0.00009   0.00039   2.13483
   R56        2.64624  -0.00007  -0.00019   0.00014  -0.00004   2.64620
   R57        2.64679   0.00009  -0.00066   0.00106   0.00040   2.64719
   R58        2.64727  -0.00024  -0.00007  -0.00017  -0.00024   2.64703
   R59        2.64496  -0.00009  -0.00004  -0.00009  -0.00013   2.64483
   R60        2.88661  -0.00003  -0.00067   0.00040  -0.00027   2.88634
   R61        2.63327   0.00010   0.00012   0.00002   0.00014   2.63342
   R62        2.07896   0.00002  -0.00005   0.00025   0.00020   2.07916
   R63        2.63513  -0.00023  -0.00001  -0.00013  -0.00014   2.63499
   R64        2.08412  -0.00053  -0.00131   0.00145   0.00014   2.08426
   R65        2.63287  -0.00007   0.00010  -0.00008   0.00002   2.63289
   R66        2.07932  -0.00006  -0.00013   0.00027   0.00014   2.07946
   R67        2.63498  -0.00010  -0.00002   0.00006   0.00004   2.63502
   R68        2.07960  -0.00003  -0.00015   0.00032   0.00017   2.07977
   R69        2.12484  -0.00012  -0.00153   0.00185   0.00032   2.12516
   R70        2.11658   0.00012   0.00082  -0.00086  -0.00004   2.11654
   R71        2.63579  -0.00005   0.00019  -0.00021  -0.00002   2.63577
   R72        2.07827   0.00003   0.00000   0.00018   0.00018   2.07845
   R73        2.63510   0.00000   0.00024  -0.00025  -0.00001   2.63510
   R74        2.07888   0.00008  -0.00004   0.00029   0.00025   2.07913
   R75        2.07799  -0.00001  -0.00003   0.00017   0.00014   2.07813
   R76        2.63643  -0.00001   0.00011  -0.00007   0.00004   2.63646
   R77        2.07854  -0.00002  -0.00007   0.00021   0.00015   2.07868
   R78        2.63464   0.00003   0.00019  -0.00014   0.00005   2.63469
   R79        2.07832  -0.00002  -0.00006   0.00021   0.00015   2.07847
   R80        2.07784  -0.00005  -0.00007   0.00017   0.00010   2.07794
   R81        2.65848   0.00036   0.00196  -0.00187   0.00009   2.65857
   R82        2.65976  -0.00014  -0.00142   0.00200   0.00058   2.66034
   R83        2.64359  -0.00014  -0.00129   0.00148   0.00019   2.64378
   R84        2.79824  -0.00059   0.00066  -0.00242  -0.00175   2.79649
   R85        2.64316   0.00017   0.00089  -0.00112  -0.00024   2.64293
   R86        2.79813  -0.00010   0.00029  -0.00096  -0.00067   2.79747
   R87        2.63217  -0.00002   0.00079  -0.00120  -0.00041   2.63176
   R88        2.08005  -0.00009  -0.00017   0.00018   0.00001   2.08006
   R89        2.63183   0.00012  -0.00116   0.00163   0.00047   2.63230
   R90        2.07950   0.00006   0.00007   0.00011   0.00018   2.07968
   R91        2.11247  -0.00015  -0.00053   0.00075   0.00023   2.11270
   R92        2.11717  -0.00013   0.00004   0.00002   0.00006   2.11724
   R93        2.11461   0.00009   0.00029   0.00001   0.00030   2.11491
   R94        2.11172  -0.00001   0.00010   0.00008   0.00018   2.11189
   R95        2.11478  -0.00001  -0.00006   0.00031   0.00025   2.11503
   R96        2.11593  -0.00001  -0.00016   0.00048   0.00033   2.11626
   R97        2.07887   0.00006   0.00007   0.00013   0.00020   2.07907
    A1        1.87996  -0.00184  -0.00797   0.01063   0.00266   1.88263
    A2        1.99006   0.00071  -0.00019   0.00233   0.00214   1.99220
    A3        2.06778   0.00142   0.01016  -0.02016  -0.00514   2.06263
    A4        2.05328  -0.00238   0.00571  -0.01529  -0.00472   2.04856
    A5        2.10588   0.00090   0.00606  -0.01246  -0.00201   2.10387
    A6        2.15144   0.00029  -0.00496   0.00874   0.00378   2.15522
    A7        2.04512   0.00050   0.00253  -0.00249   0.00004   2.04516
    A8        2.07388  -0.00073   0.00245  -0.00524  -0.00279   2.07109
    A9        2.13815  -0.00042   0.00401  -0.00774  -0.00296   2.13519
   A10        2.03704   0.00026   0.00142  -0.00258  -0.00038   2.03665
   A11        2.07278   0.00012   0.00247  -0.00429  -0.00104   2.07174
   A12        2.13448  -0.00019   0.00216  -0.00428  -0.00113   2.13335
   A13        2.05111  -0.00003  -0.00086  -0.00033  -0.00070   2.05041
   A14        2.09565   0.00022  -0.00080   0.00039   0.00008   2.09573
   A15        1.99863  -0.00366  -0.00801   0.00703  -0.00100   1.99763
   A16        1.94816   0.00108   0.00123   0.00141   0.00264   1.95080
   A17        1.87917   0.00072  -0.00030  -0.00217  -0.00247   1.87669
   A18        1.90009   0.00289   0.00356   0.00291   0.00648   1.90657
   A19        1.84864  -0.00003   0.00250  -0.00654  -0.00403   1.84461
   A20        1.88315  -0.00103   0.00146  -0.00383  -0.00235   1.88079
   A21        1.99711  -0.00024   0.00700  -0.00889  -0.00193   1.99517
   A22        1.91151  -0.00007  -0.00757   0.01185   0.00433   1.91585
   A23        1.87902  -0.00059   0.00124  -0.00546  -0.00419   1.87483
   A24        1.91121   0.00109   0.00532  -0.00663  -0.00133   1.90988
   A25        1.86063   0.00106  -0.00161   0.00951   0.00789   1.86852
   A26        1.90166  -0.00135  -0.00485  -0.00022  -0.00505   1.89661
   A27        2.00439  -0.00292  -0.00698   0.00794   0.00098   2.00537
   A28        1.88842   0.00030  -0.00294   0.00065  -0.00224   1.88619
   A29        1.86950   0.00118   0.00489  -0.00365   0.00120   1.87071
   A30        1.90669   0.00025  -0.00282  -0.00129  -0.00405   1.90263
   A31        1.91191   0.00184   0.00661  -0.00164   0.00495   1.91686
   A32        1.87883  -0.00055   0.00169  -0.00263  -0.00096   1.87788
   A33        1.95879  -0.00257  -0.00845   0.00929   0.00086   1.95965
   A34        1.85484   0.00161   0.00155   0.00068   0.00223   1.85707
   A35        1.88917  -0.00007   0.00251  -0.00639  -0.00385   1.88532
   A36        1.94443   0.00154   0.00554  -0.00531   0.00023   1.94466
   A37        1.91787   0.00023  -0.00190   0.00325   0.00136   1.91924
   A38        1.89626  -0.00072   0.00098  -0.00199  -0.00100   1.89526
   A39        1.90887  -0.00049   0.00118  -0.00423  -0.00307   1.90580
   A40        1.93649   0.00057   0.00012   0.00406   0.00418   1.94067
   A41        1.90271  -0.00031  -0.00102  -0.00291  -0.00393   1.89878
   A42        1.90971   0.00029  -0.00255   0.00654   0.00398   1.91369
   A43        1.89311   0.00026   0.00112  -0.00149  -0.00036   1.89275
   A44        1.91242  -0.00032   0.00117  -0.00213  -0.00096   1.91146
   A45        1.95345   0.00016  -0.00362   0.00506   0.00143   1.95488
   A46        1.95076  -0.00052  -0.00040   0.00117   0.00078   1.95154
   A47        1.87691   0.00004   0.00316  -0.00538  -0.00221   1.87470
   A48        1.90607   0.00049   0.00106  -0.00013   0.00092   1.90699
   A49        1.87143  -0.00026  -0.00040  -0.00035  -0.00076   1.87066
   A50        1.90274   0.00009   0.00030  -0.00063  -0.00033   1.90242
   A51        1.96760  -0.00037  -0.00479   0.00549   0.00070   1.96830
   A52        1.90993   0.00125   0.00155   0.00387   0.00543   1.91537
   A53        1.87631  -0.00044   0.00175  -0.00467  -0.00291   1.87340
   A54        1.92336  -0.00061   0.00066  -0.00294  -0.00229   1.92107
   A55        1.90994   0.00037   0.00171  -0.00270  -0.00098   1.90896
   A56        1.87382  -0.00018  -0.00070   0.00068  -0.00001   1.87381
   A57        2.13455   0.00170  -0.00115   0.00407   0.00288   2.13743
   A58        2.12641   0.00260   0.00368  -0.00256   0.00108   2.12749
   A59        2.02046  -0.00433  -0.00245  -0.00274  -0.00523   2.01523
   A60        2.00129  -0.00049  -0.00610   0.00837   0.00203   2.00332
   A61        1.88260  -0.00056   0.00869  -0.01610  -0.00731   1.87528
   A62        1.90106   0.00037  -0.00450   0.00794   0.00347   1.90453
   A63        1.90212   0.00051  -0.00271   0.00394   0.00121   1.90334
   A64        1.89216   0.00042   0.00576  -0.00467   0.00122   1.89338
   A65        1.88129  -0.00023  -0.00094   0.00017  -0.00081   1.88047
   A66        1.93949  -0.00011  -0.00167   0.00148  -0.00005   1.93945
   A67        1.90086  -0.00005  -0.00054   0.00020  -0.00043   1.90043
   A68        1.91463   0.00022   0.00337  -0.00392  -0.00053   1.91411
   A69        1.90501   0.00016   0.00087  -0.00147  -0.00066   1.90435
   A70        1.91931  -0.00015  -0.00118   0.00227   0.00106   1.92037
   A71        1.88354  -0.00008  -0.00086   0.00144   0.00061   1.88414
   A72        1.96714  -0.00014  -0.00002  -0.00002  -0.00004   1.96710
   A73        1.90789  -0.00014  -0.00202   0.00300   0.00097   1.90886
   A74        1.87816   0.00040   0.00151  -0.00174  -0.00023   1.87793
   A75        1.93252   0.00008  -0.00072   0.00070  -0.00002   1.93250
   A76        1.90951  -0.00026  -0.00068  -0.00047  -0.00115   1.90835
   A77        1.86505   0.00008   0.00213  -0.00164   0.00049   1.86554
   A78        2.11518  -0.00201  -0.00372   0.00341  -0.00025   2.11493
   A79        2.07956   0.00219   0.00460  -0.00380   0.00086   2.08041
   A80        2.08773  -0.00014  -0.00050   0.00062  -0.00003   2.08769
   A81        1.93269   0.00022  -0.00020   0.00115   0.00096   1.93365
   A82        1.91233   0.00021  -0.00001   0.00090   0.00089   1.91322
   A83        1.93209  -0.00038   0.00116  -0.00425  -0.00309   1.92900
   A84        1.89349  -0.00016  -0.00057   0.00092   0.00034   1.89383
   A85        1.90122   0.00003   0.00005  -0.00005   0.00000   1.90122
   A86        1.89111   0.00007  -0.00047   0.00143   0.00096   1.89207
   A87        1.93024  -0.00003  -0.00040   0.00050   0.00010   1.93034
   A88        1.94440  -0.00055   0.00169  -0.00357  -0.00188   1.94252
   A89        1.91599  -0.00004  -0.00048   0.00021  -0.00026   1.91573
   A90        1.89176   0.00030   0.00003   0.00101   0.00103   1.89279
   A91        1.89259   0.00010  -0.00020   0.00078   0.00059   1.89318
   A92        1.88753   0.00024  -0.00068   0.00120   0.00052   1.88805
   A93        1.96183   0.00015   0.00090  -0.00106   0.00044   1.96227
   A94        1.89987   0.00004  -0.00179   0.00269   0.00065   1.90052
   A95        1.90695  -0.00020   0.00222  -0.00364  -0.00155   1.90540
   A96        1.90898  -0.00020  -0.00040   0.00052   0.00002   1.90900
   A97        1.90365   0.00022  -0.00006   0.00060   0.00031   1.90396
   A98        1.88084  -0.00002  -0.00094   0.00098   0.00011   1.88095
   A99        2.09520  -0.00030   0.00118  -0.00221  -0.00104   2.09417
   A100       2.10515   0.00060  -0.00155   0.00318   0.00163   2.10678
   A101       2.08278  -0.00030   0.00039  -0.00106  -0.00067   2.08211
   A102       2.10109  -0.00011  -0.00049   0.00047  -0.00002   2.10106
   A103       2.10169   0.00002   0.00023  -0.00027  -0.00004   2.10165
   A104       2.08025   0.00009   0.00027  -0.00022   0.00005   2.08030
   A105       2.13790  -0.00028   0.00101  -0.00183  -0.00081   2.13709
   A106       2.06108   0.00060   0.00083  -0.00078   0.00006   2.06114
   A107       2.08270  -0.00031  -0.00168   0.00288   0.00121   2.08391
   A108       2.10033   0.00012  -0.00038   0.00076   0.00038   2.10071
   A109       2.08970   0.00000  -0.00016   0.00023   0.00006   2.08976
   A110       2.09315  -0.00012   0.00054  -0.00098  -0.00044   2.09271
   A111       2.09725   0.00027   0.00027   0.00010   0.00037   2.09762
   A112       2.09767   0.00037  -0.00126   0.00289   0.00162   2.09929
   A113       2.08818  -0.00063   0.00103  -0.00292  -0.00191   2.08627
   A114       2.10086   0.00000  -0.00011   0.00013   0.00002   2.10088
   A115       2.08905  -0.00005  -0.00025   0.00016  -0.00009   2.08896
   A116       2.09328   0.00005   0.00036  -0.00029   0.00006   2.09334
   A117       2.10052  -0.00003  -0.00012   0.00010  -0.00002   2.10050
   A118       2.09166  -0.00003  -0.00014  -0.00004  -0.00018   2.09148
   A119       2.09101   0.00006   0.00026  -0.00006   0.00020   2.09121
   A120       1.94335  -0.00106  -0.00284   0.00194  -0.00088   1.94248
   A121       1.86770   0.00051   0.00379  -0.00343   0.00034   1.86803
   A122       1.95662   0.00028  -0.00189   0.00321   0.00138   1.95800
   A123       1.88179   0.00022   0.00005   0.00005   0.00007   1.88186
   A124       1.89341   0.00008  -0.00095   0.00026  -0.00065   1.89277
   A125       1.91956  -0.00002   0.00193  -0.00222  -0.00029   1.91927
   A126       2.09607   0.00003   0.00004   0.00005   0.00009   2.09615
   A127       2.09225  -0.00002   0.00000  -0.00007  -0.00007   2.09218
   A128       2.09487  -0.00001  -0.00004   0.00002  -0.00002   2.09485
   A129       2.09836  -0.00002  -0.00046   0.00058   0.00012   2.09848
   A130       2.08866   0.00004   0.00055  -0.00066  -0.00011   2.08854
   A131       2.09616  -0.00002  -0.00010   0.00010   0.00000   2.09616
   A132       2.09158  -0.00009   0.00013  -0.00041  -0.00028   2.09130
   A133       2.09548   0.00007  -0.00001   0.00018   0.00017   2.09566
   A134       2.09612   0.00002  -0.00012   0.00023   0.00011   2.09623
   A135       2.09676  -0.00002  -0.00009   0.00011   0.00003   2.09678
   A136       2.09208   0.00000   0.00003  -0.00006  -0.00004   2.09205
   A137       2.09435   0.00002   0.00006  -0.00005   0.00001   2.09436
   A138       2.09708  -0.00002  -0.00005   0.00008   0.00003   2.09711
   A139       2.09177   0.00000   0.00003  -0.00008  -0.00005   2.09173
   A140       2.09434   0.00002   0.00002  -0.00001   0.00001   2.09435
   A141       2.09091  -0.00002   0.00010  -0.00022  -0.00012   2.09079
   A142       2.09576   0.00001  -0.00002   0.00008   0.00005   2.09582
   A143       2.09652   0.00001  -0.00007   0.00014   0.00007   2.09658
   A144       2.05837  -0.00110  -0.00185  -0.00094  -0.00278   2.05559
   A145       2.10203   0.00106   0.00251  -0.00010   0.00241   2.10443
   A146       2.11862   0.00003  -0.00074   0.00089   0.00015   2.11877
   A147       2.06761   0.00013   0.00028   0.00008   0.00036   2.06797
   A148       2.11387  -0.00036  -0.00070  -0.00017  -0.00088   2.11300
   A149       2.10165   0.00023   0.00044   0.00007   0.00051   2.10216
   A150       2.06954  -0.00019   0.00034  -0.00101  -0.00067   2.06887
   A151       2.11536   0.00025   0.00146  -0.00100   0.00046   2.11583
   A152       2.09828  -0.00005  -0.00181   0.00201   0.00020   2.09848
   A153       2.10656  -0.00013   0.00015  -0.00067  -0.00052   2.10604
   A154       2.08566  -0.00012  -0.00017  -0.00027  -0.00044   2.08522
   A155       2.09097   0.00025   0.00001   0.00095   0.00096   2.09193
   A156       2.10456   0.00014   0.00028   0.00013   0.00041   2.10498
   A157       2.08427   0.00004  -0.00025   0.00048   0.00023   2.08451
   A158       2.09434  -0.00018  -0.00004  -0.00061  -0.00065   2.09369
   A159       1.94115  -0.00015  -0.00010  -0.00034  -0.00044   1.94071
   A160       1.92325  -0.00005  -0.00072   0.00049  -0.00023   1.92302
   A161       1.92345   0.00002   0.00084  -0.00113  -0.00029   1.92317
   A162       1.88912   0.00008   0.00039   0.00008   0.00047   1.88959
   A163       1.89207   0.00021   0.00081   0.00015   0.00096   1.89303
   A164       1.89366  -0.00010  -0.00125   0.00080  -0.00045   1.89321
   A165       1.93950  -0.00006  -0.00051   0.00008  -0.00043   1.93907
   A166       1.92561   0.00004   0.00047  -0.00040   0.00007   1.92567
   A167       1.92188   0.00009   0.00023   0.00005   0.00028   1.92215
   A168       1.89609  -0.00004  -0.00082   0.00082   0.00000   1.89609
   A169       1.89086  -0.00005  -0.00030   0.00018  -0.00012   1.89074
   A170       1.88873   0.00001   0.00094  -0.00073   0.00022   1.88895
   A171       2.09939   0.00002  -0.00034   0.00059   0.00025   2.09964
   A172       2.09052   0.00015   0.00039   0.00002   0.00041   2.09093
   A173       2.09327  -0.00017  -0.00006  -0.00061  -0.00067   2.09260
    D1       -0.64890   0.00105  -0.09645   0.13316   0.03671  -0.61220
    D2       -2.77841  -0.00039  -0.09927   0.13370   0.03442  -2.74398
    D3        1.47064  -0.00035  -0.10247   0.13880   0.03634   1.50697
    D4        2.40100  -0.00005   0.02389  -0.02387   0.00000   2.40100
    D5       -1.82985  -0.00006   0.02460  -0.02481  -0.00020  -1.83005
    D6        0.27613   0.00041   0.02836  -0.02788   0.00048   0.27662
    D7       -2.04922  -0.00012  -0.00077  -0.00511  -0.00587  -2.05509
    D8        1.18898  -0.00002   0.00010  -0.00342  -0.00332   1.18566
    D9        0.95378  -0.00131  -0.05972   0.00333  -0.05593   0.89786
   D10       -1.19947  -0.00252  -0.06584   0.00927  -0.05614  -1.25561
   D11        3.01841  -0.00053  -0.05665   0.00611  -0.05009   2.96832
   D12       -2.53910  -0.00130   0.05346  -0.14316  -0.09013  -2.62923
   D13        1.59083  -0.00250   0.04734  -0.13722  -0.09034   1.50048
   D14       -0.47447  -0.00052   0.05652  -0.14037  -0.08429  -0.55876
   D15        2.58023  -0.00025   0.06269  -0.08494  -0.02229   2.55794
   D16       -1.58050  -0.00035   0.06153  -0.08623  -0.02478  -1.60528
   D17        0.45688  -0.00074   0.06273  -0.09059  -0.02790   0.42898
   D18       -0.19914   0.00041  -0.05334   0.06676   0.01363  -0.18551
   D19        1.92332   0.00031  -0.05450   0.06547   0.01113   1.93445
   D20       -2.32248  -0.00007  -0.05330   0.06111   0.00802  -2.31447
   D21        0.13272  -0.00137  -0.06349   0.06048  -0.00294   0.12978
   D22       -3.05002  -0.00023  -0.04749   0.06686   0.01954  -3.03048
   D23        2.91500  -0.00126   0.05240  -0.09098  -0.03867   2.87633
   D24       -0.26774  -0.00013   0.06839  -0.08460  -0.01618  -0.28392
   D25       -1.12694   0.00227  -0.02608   0.07764   0.05156  -1.07538
   D26        2.98738   0.00036  -0.02562   0.06699   0.04138   3.02875
   D27        0.92369   0.00054  -0.02792   0.07219   0.04427   0.96796
   D28        2.18783   0.00191  -0.02673   0.07148   0.04475   2.23257
   D29        0.01896   0.00000  -0.02627   0.06083   0.03456   0.05352
   D30       -2.04473   0.00019  -0.02857   0.06603   0.03746  -2.00727
   D31        0.15947   0.00105   0.00384   0.01545   0.01930   0.17877
   D32       -3.04483   0.00058   0.00635  -0.00658  -0.00023  -3.04505
   D33        3.12519   0.00153   0.00448   0.02200   0.02648  -3.13151
   D34       -0.07910   0.00106   0.00699  -0.00003   0.00696  -0.07215
   D35       -1.67260   0.00019  -0.05999   0.07589   0.01593  -1.65667
   D36        2.46618  -0.00019  -0.05841   0.07147   0.01309   2.47928
   D37        0.37842  -0.00002  -0.06059   0.07500   0.01445   0.39287
   D38        1.18311   0.00007  -0.01834   0.01734  -0.00103   1.18208
   D39       -0.96129  -0.00031  -0.01675   0.01292  -0.00387  -0.96516
   D40       -3.04905  -0.00014  -0.01894   0.01645  -0.00252  -3.05157
   D41       -0.11107   0.00011   0.02884  -0.03530  -0.00651  -0.11758
   D42        3.09067  -0.00011   0.02405  -0.04049  -0.01648   3.07419
   D43       -2.96120   0.00021  -0.01350   0.02414   0.01068  -2.95052
   D44        0.24053  -0.00001  -0.01828   0.01894   0.00072   0.24125
   D45       -3.03314   0.00072  -0.03102   0.06311   0.03206  -3.00107
   D46        0.14876  -0.00029  -0.04652   0.05669   0.01005   0.15881
   D47        0.04138   0.00059   0.01627  -0.00949   0.00678   0.04816
   D48       -3.05991  -0.00042   0.00077  -0.01591  -0.01524  -3.07515
   D49        0.41890   0.00028   0.01200  -0.01406  -0.00220   0.41670
   D50        2.53654   0.00015   0.01084  -0.01224  -0.00144   2.53510
   D51       -1.69691   0.00004   0.00994  -0.01159  -0.00181  -1.69872
   D52       -2.65396   0.00042  -0.03657   0.06037   0.02376  -2.63019
   D53       -0.53631   0.00029  -0.03772   0.06219   0.02452  -0.51179
   D54        1.51343   0.00018  -0.03863   0.06284   0.02415   1.53758
   D55       -0.87250   0.00044   0.01924  -0.01144   0.00782  -0.86468
   D56        1.26228  -0.00100   0.00877  -0.00721   0.00155   1.26383
   D57       -2.99988  -0.00088   0.01175  -0.01183  -0.00006  -2.99995
   D58        1.32170   0.00147   0.01779  -0.00195   0.01585   1.33755
   D59       -2.82671   0.00003   0.00733   0.00228   0.00959  -2.81712
   D60       -0.80568   0.00015   0.01031  -0.00234   0.00797  -0.79771
   D61       -2.94047   0.00166   0.02250  -0.00838   0.01414  -2.92633
   D62       -0.80569   0.00021   0.01204  -0.00415   0.00788  -0.79781
   D63        1.21534   0.00033   0.01502  -0.00876   0.00626   1.22159
   D64       -1.06720  -0.00072   0.01872  -0.01102   0.00770  -1.05949
   D65        1.07978  -0.00085   0.01737  -0.00817   0.00922   1.08900
   D66        3.10958  -0.00065   0.01833  -0.00789   0.01045   3.12003
   D67        2.99279   0.00106   0.02552  -0.02342   0.00208   2.99487
   D68       -1.14342   0.00092   0.02417  -0.02057   0.00359  -1.13982
   D69        0.88638   0.00113   0.02513  -0.02029   0.00483   0.89121
   D70        0.99411   0.00015   0.01998  -0.01523   0.00474   0.99885
   D71        3.14108   0.00001   0.01863  -0.01239   0.00626  -3.13585
   D72       -1.11230   0.00022   0.01960  -0.01210   0.00749  -1.10481
   D73        3.05187  -0.00011   0.00329   0.02863   0.03195   3.08382
   D74        0.94358  -0.00052   0.00563   0.02067   0.02633   0.96992
   D75       -1.16405  -0.00027   0.00477   0.02266   0.02746  -1.13659
   D76       -1.07790   0.00047   0.00261   0.03263   0.03522  -1.04268
   D77        3.09700   0.00007   0.00495   0.02467   0.02960   3.12660
   D78        0.98937   0.00031   0.00409   0.02666   0.03073   1.02009
   D79        0.97684   0.00004  -0.00126   0.03420   0.03294   1.00978
   D80       -1.13145  -0.00037   0.00108   0.02624   0.02732  -1.10413
   D81        3.04410  -0.00012   0.00022   0.02823   0.02845   3.07255
   D82        1.73249   0.00063   0.03801  -0.02669   0.01136   1.74385
   D83       -1.34672   0.00113   0.03568  -0.00504   0.03068  -1.31604
   D84       -0.47063   0.00022   0.03077  -0.01904   0.01172  -0.45891
   D85        2.73335   0.00073   0.02845   0.00261   0.03104   2.76439
   D86       -2.49953  -0.00089   0.03249  -0.02662   0.00586  -2.49367
   D87        0.70445  -0.00039   0.03017  -0.00496   0.02518   0.72964
   D88        1.82569  -0.00226  -0.06114   0.01222  -0.04894   1.77675
   D89       -2.37986  -0.00088  -0.06107   0.01572  -0.04537  -2.42522
   D90       -0.27731  -0.00063  -0.05750   0.01194  -0.04557  -0.32288
   D91       -0.29919  -0.00080  -0.05046   0.00683  -0.04364  -0.34283
   D92        1.77845   0.00057  -0.05040   0.01032  -0.04006   1.73838
   D93       -2.40220   0.00082  -0.04683   0.00654  -0.04027  -2.44246
   D94       -2.35328  -0.00135  -0.05468   0.01171  -0.04298  -2.39626
   D95       -0.27565   0.00002  -0.05462   0.01521  -0.03940  -0.31505
   D96        1.82689   0.00027  -0.05105   0.01143  -0.03960   1.78729
   D97       -1.16937  -0.00065  -0.01705   0.00546  -0.01160  -1.18097
   D98        1.00018  -0.00084  -0.01931   0.01039  -0.00893   0.99126
   D99        3.05951  -0.00062  -0.01861   0.00937  -0.00924   3.05026
   D100       2.97521   0.00054  -0.01101  -0.00323  -0.01424   2.96097
   D101      -1.13842   0.00034  -0.01326   0.00170  -0.01157  -1.14999
   D102       0.92090   0.00057  -0.01257   0.00068  -0.01189   0.90901
   D103       0.86001  -0.00024  -0.01282  -0.00261  -0.01542   0.84459
   D104       3.02956  -0.00044  -0.01507   0.00233  -0.01275   3.01682
   D105      -1.19430  -0.00021  -0.01438   0.00131  -0.01306  -1.20736
   D106      -1.05787  -0.00033   0.00875  -0.01777  -0.00902  -1.06689
   D107       3.13733  -0.00040   0.00959  -0.02020  -0.01061   3.12672
   D108       1.05266  -0.00039   0.00946  -0.01990  -0.01043   1.04223
   D109       1.06663   0.00025   0.00803  -0.01131  -0.00328   1.06335
   D110      -1.02135   0.00018   0.00887  -0.01374  -0.00487  -1.02622
   D111      -3.10602   0.00019   0.00874  -0.01344  -0.00470  -3.11072
   D112      -3.13111   0.00018   0.00863  -0.01096  -0.00233  -3.13344
   D113       1.06410   0.00011   0.00947  -0.01339  -0.00392   1.06017
   D114      -1.02057   0.00012   0.00934  -0.01309  -0.00375  -1.02432
   D115       0.91584   0.00002   0.00907  -0.01072  -0.00164   0.91420
   D116      -1.18932   0.00003   0.00818  -0.00994  -0.00176  -1.19108
   D117       3.00352   0.00011   0.00827  -0.00930  -0.00103   3.00249
   D118      -1.19195   0.00008   0.00919  -0.01232  -0.00313  -1.19508
   D119       2.98607   0.00008   0.00830  -0.01154  -0.00324   2.98283
   D120       0.89573   0.00016   0.00839  -0.01090  -0.00251   0.89322
   D121       3.01773  -0.00021   0.00865  -0.01315  -0.00450   3.01323
   D122       0.91256  -0.00021   0.00776  -0.01237  -0.00462   0.90795
   D123      -1.17778  -0.00013   0.00785  -0.01173  -0.00389  -1.18167
   D124      -1.14126   0.00022   0.02851  -0.00525   0.02326  -1.11799
   D125       1.01571   0.00012   0.02607  -0.00216   0.02392   1.03963
   D126       3.03508   0.00036   0.02835  -0.00347   0.02488   3.05996
   D127       2.97080   0.00002   0.03267  -0.01246   0.02021   2.99101
   D128      -1.15542  -0.00008   0.03024  -0.00937   0.02087  -1.13455
   D129       0.86395   0.00016   0.03252  -0.01068   0.02183   0.88578
   D130       0.93123   0.00001   0.03240  -0.01161   0.02079   0.95202
   D131       3.08819  -0.00009   0.02997  -0.00852   0.02145   3.10964
   D132      -1.17562   0.00015   0.03225  -0.00983   0.02241  -1.15321
   D133      -1.58568   0.00086   0.05236  -0.03267   0.01967  -1.56600
   D134       1.56679   0.00104   0.04920  -0.02264   0.02656   1.59335
   D135       2.55804  -0.00004   0.05322  -0.03940   0.01383   2.57187
   D136      -0.57268   0.00014   0.05007  -0.02936   0.02071  -0.55196
   D137       0.50139   0.00032   0.05265  -0.03686   0.01579   0.51717
   D138      -2.62933   0.00050   0.04949  -0.02683   0.02267  -2.60666
   D139       0.73855  -0.00053   0.01813  -0.02428  -0.00612   0.73242
   D140       2.83767  -0.00043   0.01784  -0.02505  -0.00725   2.83043
   D141      -1.38756  -0.00042   0.01845  -0.02547  -0.00707  -1.39463
   D142      -1.37322   0.00016   0.01302  -0.01207   0.00105  -1.37216
   D143       0.72591   0.00026   0.01273  -0.01284  -0.00007   0.72584
   D144       2.78386   0.00026   0.01334  -0.01325   0.00011   2.78397
   D145       2.86674  -0.00007   0.01245  -0.01183   0.00068   2.86742
   D146      -1.31732   0.00003   0.01216  -0.01260  -0.00044  -1.31776
   D147       0.74063   0.00003   0.01277  -0.01302  -0.00027   0.74037
   D148      -0.83864   0.00001   0.00149  -0.00086   0.00049  -0.83815
   D149      -2.95107   0.00000   0.00343  -0.00392  -0.00064  -2.95170
   D150       1.27905   0.00001   0.00483  -0.00575  -0.00096   1.27809
   D151      -2.93531   0.00004   0.00261  -0.00108   0.00148  -2.93382
   D152       1.23545   0.00003   0.00456  -0.00414   0.00036   1.23581
   D153      -0.81762   0.00004   0.00596  -0.00597   0.00003  -0.81759
   D154       1.28475   0.00012   0.00383  -0.00328   0.00051   1.28526
   D155      -0.82768   0.00011   0.00578  -0.00634  -0.00061  -0.82829
   D156      -2.88075   0.00013   0.00718  -0.00817  -0.00094  -2.88169
   D157      -1.16312  -0.00020  -0.02250   0.02132  -0.00118  -1.16430
   D158       1.99788  -0.00025  -0.02339   0.02255  -0.00084   1.99704
   D159       2.97682   0.00002  -0.01931   0.01692  -0.00240   2.97442
   D160      -0.14537  -0.00002  -0.02021   0.01815  -0.00206  -0.14743
   D161       0.92569   0.00003  -0.02107   0.01879  -0.00228   0.92341
   D162      -2.19649  -0.00001  -0.02197   0.02003  -0.00194  -2.19844
   D163      -3.12852   0.00000  -0.00349   0.00634   0.00285  -3.12566
   D164       0.00949   0.00011  -0.00270   0.00737   0.00468   0.01417
   D165       0.00234  -0.00017  -0.00038  -0.00354  -0.00392  -0.00158
   D166       3.14035  -0.00007   0.00041  -0.00251  -0.00210   3.13826
   D167       3.12957  -0.00009   0.00372  -0.00832  -0.00460   3.12497
   D168      -0.02607   0.00058   0.00848  -0.00268   0.00581  -0.02027
   D169      -0.00122   0.00009   0.00059   0.00165   0.00224   0.00102
   D170       3.12632   0.00076   0.00534   0.00729   0.01265   3.13896
   D171      -3.12616   0.00000   0.00050   0.00000   0.00050  -3.12566
   D172       0.01754   0.00004   0.00196  -0.00105   0.00091   0.01845
   D173      -0.00374   0.00004   0.00139  -0.00122   0.00017  -0.00357
   D174       3.13996   0.00008   0.00285  -0.00227   0.00058   3.14054
   D175       3.12398   0.00000  -0.00011  -0.00061  -0.00072   3.12326
   D176      -0.01704  -0.00002  -0.00064   0.00049  -0.00015  -0.01719
   D177       0.00157  -0.00004  -0.00099   0.00060  -0.00039   0.00118
   D178      -3.13945  -0.00007  -0.00152   0.00170   0.00018  -3.13927
   D179       2.77759   0.00013   0.00309  -0.00048   0.00263   2.78022
   D180       0.73381  -0.00003   0.00011   0.00257   0.00267   0.73648
   D181      -1.34443  -0.00017  -0.00167   0.00504   0.00334  -1.34109
   D182      -0.42150   0.00031   0.00765   0.00445   0.01213  -0.40937
   D183      -2.46529   0.00015   0.00468   0.00749   0.01217  -2.45312
   D184       1.73966   0.00001   0.00289   0.00997   0.01284   1.75250
   D185      -0.00107   0.00011  -0.00028   0.00280   0.00252   0.00145
   D186       3.13962   0.00007  -0.00003   0.00154   0.00151   3.14114
   D187      -3.13907   0.00000  -0.00107   0.00176   0.00069  -3.13838
   D188       0.00162  -0.00004  -0.00082   0.00050  -0.00032   0.00131
   D189      -0.00117   0.00005  -0.00014   0.00098   0.00084  -0.00033
   D190       3.13594   0.00024   0.00060   0.00358   0.00418   3.14012
   D191      -3.12878  -0.00061  -0.00486  -0.00467  -0.00952  -3.13830
   D192       0.00832  -0.00043  -0.00412  -0.00207  -0.00618   0.00214
   D193       0.00314  -0.00001  -0.00072   0.00086   0.00014   0.00328
   D194      -3.13738   0.00000  -0.00035   0.00041   0.00007  -3.13732
   D195      -3.14057  -0.00005  -0.00219   0.00191  -0.00027  -3.14084
   D196       0.00210  -0.00004  -0.00182   0.00147  -0.00035   0.00175
   D197       0.00121   0.00001  -0.00007   0.00037   0.00030   0.00151
   D198      -3.14050   0.00000  -0.00022   0.00065   0.00043  -3.14007
   D199      -3.14096   0.00003   0.00046  -0.00072  -0.00027  -3.14122
   D200       0.00053   0.00003   0.00030  -0.00044  -0.00014   0.00039
   D201      -0.00133   0.00004   0.00073  -0.00014   0.00059  -0.00075
   D202       3.14142  -0.00012   0.00037  -0.00285  -0.00248   3.13894
   D203       3.14116   0.00008   0.00048   0.00112   0.00160  -3.14043
   D204       0.00073  -0.00008   0.00012  -0.00159  -0.00147  -0.00074
   D205       0.00245  -0.00012  -0.00052  -0.00174  -0.00226   0.00019
   D206      -3.14030   0.00003  -0.00016   0.00096   0.00080  -3.13950
   D207      -3.13463  -0.00031  -0.00127  -0.00436  -0.00562  -3.14025
   D208       0.00580  -0.00015  -0.00090  -0.00165  -0.00256   0.00324
   D209      -0.00033  -0.00002  -0.00036   0.00013  -0.00023  -0.00056
   D210       3.14139   0.00000  -0.00021  -0.00002  -0.00023   3.14116
   D211       3.14019  -0.00003  -0.00073   0.00058  -0.00015   3.14003
   D212      -0.00128  -0.00001  -0.00059   0.00043  -0.00016  -0.00143
   D213      -0.00184   0.00002   0.00075  -0.00074   0.00001  -0.00183
   D214       3.13963   0.00000   0.00061  -0.00060   0.00001   3.13964
   D215       3.13987   0.00003   0.00090  -0.00102  -0.00012   3.13975
   D216      -0.00185   0.00001   0.00076  -0.00088  -0.00012  -0.00197
   D217      -3.05215   0.00007   0.00072   0.00091   0.00160  -3.05055
   D218       0.07810   0.00009   0.00181  -0.00065   0.00114   0.07924
   D219      -0.00813   0.00002   0.00002  -0.00086  -0.00084  -0.00897
   D220       3.12212   0.00005   0.00111  -0.00241  -0.00130   3.12082
   D221       3.05586  -0.00015  -0.00001  -0.00215  -0.00219   3.05367
   D222      -0.08299  -0.00008   0.00169  -0.00191  -0.00024  -0.08323
   D223       0.01426   0.00001   0.00090  -0.00030   0.00061   0.01487
   D224      -3.12459   0.00008   0.00260  -0.00005   0.00256  -3.12203
   D225      -0.00381  -0.00004  -0.00099   0.00133   0.00034  -0.00347
   D226       3.13781   0.00002  -0.00030   0.00127   0.00098   3.13879
   D227      -3.13414  -0.00007  -0.00206   0.00287   0.00080  -3.13334
   D228       0.00748   0.00000  -0.00137   0.00281   0.00144   0.00892
   D229      -2.96116   0.00003   0.00343   0.00444   0.00787  -2.95329
   D230       1.22702   0.00006   0.00348   0.00424   0.00772   1.23474
   D231      -0.86231   0.00021   0.00495   0.00366   0.00860  -0.85371
   D232       0.16887   0.00006   0.00454   0.00286   0.00740   0.17628
   D233      -1.92614   0.00009   0.00459   0.00266   0.00725  -1.91889
   D234       2.26773   0.00024   0.00606   0.00207   0.00813   2.27586
   D235      -0.00858  -0.00003  -0.00088   0.00102   0.00013  -0.00845
   D236       3.13662   0.00005   0.00034   0.00113   0.00147   3.13808
   D237       3.13030  -0.00010  -0.00256   0.00077  -0.00180   3.12850
   D238      -0.00769  -0.00002  -0.00133   0.00088  -0.00046  -0.00815
   D239       2.84051  -0.00007  -0.01093   0.01007  -0.00086   2.83965
   D240       0.73626  -0.00001  -0.00988   0.00925  -0.00063   0.73563
   D241      -1.34745  -0.00011  -0.01149   0.01038  -0.00111  -1.34857
   D242      -0.29829   0.00000  -0.00921   0.01033   0.00112  -0.29717
   D243      -2.40255   0.00006  -0.00815   0.00951   0.00136  -2.40119
   D244       1.79693  -0.00004  -0.00977   0.01063   0.00087   1.79780
   D245       0.00940   0.00003   0.00101  -0.00064   0.00038   0.00977
   D246      -3.13673   0.00004   0.00084  -0.00082   0.00003  -3.13670
   D247      -3.13223  -0.00004   0.00032  -0.00058  -0.00026  -3.13249
   D248       0.00483  -0.00003   0.00015  -0.00076  -0.00061   0.00422
   D249      -0.00304   0.00001  -0.00006  -0.00056  -0.00061  -0.00366
   D250      -3.14010   0.00000   0.00011  -0.00038  -0.00027  -3.14037
   D251       3.13493  -0.00007  -0.00129  -0.00067  -0.00196   3.13297
   D252      -0.00212  -0.00008  -0.00113  -0.00049  -0.00162  -0.00374
         Item               Value     Threshold  Converged?
 Maximum Force            0.004582     0.000450     NO 
 RMS     Force            0.000712     0.000300     NO 
 Maximum Displacement     0.582711     0.001800     NO 
 RMS     Displacement     0.109569     0.001200     NO 
 Predicted change in Energy=-1.089943D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.085143   -0.071069   -1.545828
      2          8           0       -3.216321    0.123906   -2.515878
      3          8           0       -3.475916   -2.116742    1.474426
      4          8           0        1.916419    1.687912    2.255433
      5          8           0        3.538119   -1.309768    1.217787
      6          7           0       -3.101482   -2.655017   -0.762318
      7          7           0       -3.175857    0.379155   -0.232323
      8          7           0        2.130646    0.820615    0.136131
      9          7           0       -1.726510   -3.522751    1.031437
     10          6           0       -2.689091    1.740382   -0.227526
     11          6           0       -4.127592   -1.711784   -1.160188
     12          6           0       -1.352168    1.942369   -0.966450
     13          6           0       -0.251320    0.962489   -0.580150
     14          6           0       -4.910654   -2.121191   -2.422243
     15          6           0        1.129292    1.676526   -0.457470
     16          6           0       -2.567500    2.300102    1.206358
     17          6           0       -3.495266   -0.306193   -1.376535
     18          6           0       -2.144742   -3.082718   -1.757437
     19          6           0       -0.743339   -3.362792   -1.219290
     20          6           0        1.562336    2.187375   -1.844873
     21          6           0       -2.790690   -2.734546    0.612742
     22          6           0       -6.001580   -1.100823   -2.685095
     23          6           0       -5.527209   -3.496776   -2.262406
     24          6           0       -0.803795   -4.115627    0.107414
     25          6           0       -3.868956    2.327955    1.925875
     26          6           0        2.766421    3.056719   -1.786014
     27          6           0        2.414232    0.844062    1.479810
     28          6           0       -4.691777    3.457802    1.840593
     29          6           0       -4.276328    1.240921    2.709923
     30          6           0        2.707164    4.307497   -1.158211
     31          6           0        3.966519    2.645992   -2.377546
     32          6           0        3.422298   -0.151250    2.050833
     33          6           0       -5.903931    3.499824    2.526800
     34          6           0       -5.489551    1.286749    3.395693
     35          6           0       -6.304698    2.414541    3.305896
     36          6           0        3.830839    5.130331   -1.119740
     37          6           0        5.089211    3.472138   -2.340470
     38          6           0        5.024097    4.714503   -1.711080
     39          6           0        4.847215   -1.749886    1.032295
     40          6           0        5.362293   -1.741926   -0.276855
     41          6           0        5.577692   -2.296349    2.104516
     42          6           0        6.633422   -2.283231   -0.497079
     43          6           0        6.848017   -2.822312    1.848279
     44          6           0        4.577291   -1.189152   -1.402970
     45          6           0        5.021908   -2.324904    3.476281
     46          6           0        7.372129   -2.813555    0.557718
     47          1           0       -3.446906    2.376468   -0.784536
     48          1           0       -4.877498   -1.646101   -0.309408
     49          1           0       -1.547661    1.857150   -2.071232
     50          1           0       -1.015660    2.992881   -0.761627
     51          1           0       -0.495756    0.479014    0.410361
     52          1           0       -4.206655   -2.124307   -3.300751
     53          1           0        0.987505    2.562630    0.234133
     54          1           0       -3.418620   -0.022397    0.651087
     55          1           0       -1.818715    1.696523    1.787144
     56          1           0       -2.164459    3.345337    1.124613
     57          1           0       -2.550375   -4.021524   -2.235442
     58          1           0       -2.068351   -2.291627   -2.562022
     59          1           0       -0.185162   -3.981549   -1.966681
     60          1           0       -0.188098   -2.394318   -1.087449
     61          1           0        1.737234    1.311536   -2.526551
     62          1           0        0.703398    2.769947   -2.275711
     63          1           0       -6.719775   -1.059368   -1.830797
     64          1           0       -6.564291   -1.382651   -3.608099
     65          1           0       -5.560138   -0.085785   -2.837136
     66          1           0       -6.124968   -3.552510   -1.320403
     67          1           0       -4.743774   -4.290996   -2.231068
     68          1           0       -6.205072   -3.709590   -3.124995
     69          1           0        0.222122   -4.131846    0.575540
     70          1           0       -1.110416   -5.185158   -0.088333
     71          1           0        2.421496    0.033793   -0.400334
     72          1           0       -1.572139   -3.601717    2.006811
     73          1           0       -0.956948   -0.283713   -1.905746
     74          1           0       -4.377401    4.316946    1.229388
     75          1           0       -3.642065    0.341862    2.786617
     76          1           0        1.767461    4.639015   -0.691372
     77          1           0        4.024241    1.666248   -2.875565
     78          1           0        3.035230   -0.499652    3.047572
     79          1           0        4.402621    0.373915    2.183590
     80          1           0       -6.543763    4.391506    2.454478
     81          1           0       -5.801784    0.427567    4.007920
     82          1           0       -7.260179    2.449200    3.849210
     83          1           0        3.776119    6.109227   -0.620991
     84          1           0        6.027713    3.141706   -2.809253
     85          1           0        5.910259    5.364808   -1.680532
     86          1           0        7.051112   -2.287829   -1.515458
     87          1           0        7.433288   -3.250169    2.676253
     88          1           0        5.049550   -1.437735   -2.385356
     89          1           0        4.511085   -0.073998   -1.317355
     90          1           0        3.539451   -1.607844   -1.392598
     91          1           0        5.576404   -3.050926    4.120004
     92          1           0        3.942493   -2.619800    3.452496
     93          1           0        5.097618   -1.310206    3.944019
     94          1           0        8.372244   -3.231452    0.369145
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0839690      0.0407319      0.0353156
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3230.0976608329 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.245860778415     A.U. after   14 cycles
             Convg  =    0.8962D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000031514    0.000708276   -0.000900120
      2        8           0.000309921   -0.000629572   -0.000241036
      3        8           0.000385580   -0.000571515    0.002062980
      4        8          -0.000261380   -0.000265563   -0.000209423
      5        8          -0.000476078   -0.000838043    0.000335974
      6        7          -0.000323950    0.002550884   -0.001097311
      7        7           0.000168968   -0.000008043   -0.000630306
      8        7          -0.000246625   -0.000349412    0.000280523
      9        7           0.000256157    0.000819640    0.001263080
     10        6           0.000088665   -0.000283779   -0.001332852
     11        6          -0.000348418   -0.000150552   -0.001109024
     12        6          -0.000298163   -0.000080048    0.000019242
     13        6           0.000144905    0.000097068    0.000531498
     14        6          -0.000521089    0.001374396    0.001868266
     15        6           0.000209478   -0.000310165   -0.000200020
     16        6           0.000477572   -0.000319996    0.000917321
     17        6           0.001690952   -0.000429817   -0.000365759
     18        6           0.001459818   -0.001412595    0.001109953
     19        6          -0.000389028   -0.000241859   -0.000244245
     20        6           0.000005018    0.000581196    0.000119731
     21        6          -0.000535971   -0.001359396   -0.003046377
     22        6          -0.000487648    0.000518576    0.000292178
     23        6          -0.000190854   -0.000620405   -0.000401787
     24        6          -0.000125285   -0.000077934   -0.000126701
     25        6           0.000423777    0.000380555    0.000443915
     26        6          -0.000076945   -0.000207387    0.000037375
     27        6          -0.000028539    0.000630910    0.000431719
     28        6          -0.000064445    0.000056831    0.000160735
     29        6          -0.000067827   -0.000455025    0.000338891
     30        6          -0.000120546   -0.000033872   -0.000006828
     31        6           0.000189073   -0.000115078    0.000003876
     32        6           0.000682170    0.000605176   -0.000231780
     33        6          -0.000042646    0.000003889   -0.000050751
     34        6           0.000199216   -0.000007452    0.000139246
     35        6          -0.000122583    0.000028688   -0.000129771
     36        6          -0.000023972    0.000004170   -0.000029329
     37        6           0.000026341    0.000044042    0.000064476
     38        6           0.000001638   -0.000032183   -0.000051103
     39        6           0.000724724    0.001051390   -0.000975792
     40        6           0.000198930   -0.000338985    0.000460937
     41        6          -0.000713175   -0.000271635    0.000291381
     42        6           0.000005952   -0.000016104   -0.000018372
     43        6           0.000050471   -0.000210597    0.000031972
     44        6          -0.000185613   -0.000189831    0.000296154
     45        6          -0.000139859    0.000038810   -0.000131263
     46        6           0.000079321    0.000052654   -0.000003619
     47        1          -0.000132417    0.000241615   -0.000324710
     48        1           0.000242469   -0.000302955    0.000111266
     49        1           0.000138862    0.000047802   -0.000029881
     50        1          -0.000047519    0.000231328    0.000300540
     51        1          -0.000110216   -0.000210686    0.000291266
     52        1           0.000050732   -0.000160761    0.000127079
     53        1          -0.000233507    0.000094838    0.000402867
     54        1          -0.000351418   -0.000288378    0.000130541
     55        1          -0.000359781    0.000063081    0.000113515
     56        1           0.000221619   -0.000018510    0.000012311
     57        1           0.000045661    0.000196327    0.000202747
     58        1           0.000069781    0.000069812   -0.000010251
     59        1          -0.000133496    0.000029424   -0.000119754
     60        1           0.000218391    0.000157738    0.000281298
     61        1           0.000039822    0.000232283   -0.000307719
     62        1           0.000051960   -0.000026372   -0.000340407
     63        1           0.000016566   -0.000122463    0.000170416
     64        1           0.000023191    0.000081761   -0.000252589
     65        1          -0.000530601    0.000190923    0.000256054
     66        1          -0.000007243   -0.000212292    0.000106302
     67        1          -0.000015542   -0.000152530   -0.000138254
     68        1           0.000023303   -0.000064023   -0.000129387
     69        1          -0.000186417    0.000188027    0.000140471
     70        1           0.000012095   -0.000010044    0.000010411
     71        1           0.000044884    0.000135321   -0.000059824
     72        1          -0.000021697   -0.000150518   -0.000449245
     73        1          -0.000974531    0.000031161   -0.000104744
     74        1          -0.000011258    0.000055213    0.000003010
     75        1          -0.000145945   -0.000018530   -0.000245370
     76        1           0.000153610    0.000007116    0.000008200
     77        1           0.000009259    0.000040527   -0.000128367
     78        1          -0.000050149   -0.000270525    0.000034472
     79        1           0.000044771   -0.000183574    0.000127437
     80        1           0.000052078   -0.000003134    0.000023703
     81        1          -0.000038197   -0.000029764    0.000010233
     82        1           0.000035443   -0.000063582    0.000064037
     83        1           0.000030527    0.000020605    0.000070779
     84        1          -0.000044089    0.000056957   -0.000031709
     85        1          -0.000031179    0.000078837    0.000056719
     86        1          -0.000115480    0.000078985   -0.000072507
     87        1           0.000039735   -0.000025998    0.000066147
     88        1          -0.000013800    0.000144142   -0.000165696
     89        1          -0.000006068    0.000056060    0.000085384
     90        1          -0.000183445   -0.000015340   -0.000164021
     91        1          -0.000065111    0.000038817    0.000006643
     92        1           0.000081115   -0.000069459   -0.000062445
     93        1           0.000102291    0.000076146    0.000068817
     94        1           0.000041420    0.000034281   -0.000113641
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003046377 RMS     0.000468328

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002682668 RMS     0.000415378
 Search for a local minimum.
 Step number  18 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   17   18
 DE= -1.14D-03 DEPred=-1.09D-03 R= 1.04D+00
 SS=  1.41D+00  RLast= 3.11D-01 DXNew= 8.6004D-01 9.3289D-01
 Trust test= 1.04D+00 RLast= 3.11D-01 DXMaxT set to 8.60D-01
     Eigenvalues ---    0.00154   0.00219   0.00222   0.00230   0.00236
     Eigenvalues ---    0.00243   0.00268   0.00309   0.00343   0.00384
     Eigenvalues ---    0.00423   0.00468   0.00479   0.00487   0.00543
     Eigenvalues ---    0.00604   0.00678   0.00769   0.01005   0.01039
     Eigenvalues ---    0.01303   0.01342   0.01384   0.01394   0.01403
     Eigenvalues ---    0.01440   0.01448   0.01512   0.01552   0.01638
     Eigenvalues ---    0.01954   0.02003   0.02021   0.02083   0.02112
     Eigenvalues ---    0.02118   0.02134   0.02142   0.02149   0.02150
     Eigenvalues ---    0.02154   0.02161   0.02169   0.02172   0.02172
     Eigenvalues ---    0.02175   0.02176   0.02179   0.02180   0.02182
     Eigenvalues ---    0.02182   0.02186   0.02187   0.02188   0.02294
     Eigenvalues ---    0.02358   0.02482   0.02842   0.03060   0.03455
     Eigenvalues ---    0.03559   0.03679   0.03783   0.03911   0.03950
     Eigenvalues ---    0.04105   0.04315   0.04350   0.04388   0.04634
     Eigenvalues ---    0.04792   0.04833   0.04932   0.05010   0.05053
     Eigenvalues ---    0.05133   0.05367   0.05389   0.05420   0.05471
     Eigenvalues ---    0.05573   0.05621   0.05632   0.05659   0.05688
     Eigenvalues ---    0.05880   0.05919   0.05997   0.06738   0.07013
     Eigenvalues ---    0.07107   0.07111   0.07251   0.07368   0.07521
     Eigenvalues ---    0.07597   0.08037   0.08242   0.08674   0.09259
     Eigenvalues ---    0.09314   0.09387   0.09724   0.11030   0.11602
     Eigenvalues ---    0.12170   0.12428   0.12763   0.12867   0.14073
     Eigenvalues ---    0.15556   0.15762   0.15879   0.15938   0.15977
     Eigenvalues ---    0.15990   0.15998   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16003   0.16003   0.16005   0.16010
     Eigenvalues ---    0.16021   0.16031   0.16118   0.16247   0.16481
     Eigenvalues ---    0.16695   0.16839   0.17312   0.18311   0.18543
     Eigenvalues ---    0.19095   0.19909   0.20478   0.20770   0.21639
     Eigenvalues ---    0.21795   0.21896   0.21977   0.22000   0.22000
     Eigenvalues ---    0.22003   0.22010   0.22124   0.22441   0.23156
     Eigenvalues ---    0.23311   0.23426   0.23502   0.23535   0.23716
     Eigenvalues ---    0.24606   0.24762   0.24855   0.24971   0.24989
     Eigenvalues ---    0.25017   0.25024   0.25131   0.25435   0.25566
     Eigenvalues ---    0.26196   0.26661   0.26996   0.27212   0.27601
     Eigenvalues ---    0.27780   0.28370   0.28452   0.28852   0.29105
     Eigenvalues ---    0.29805   0.29942   0.30206   0.30477   0.31033
     Eigenvalues ---    0.31574   0.32276   0.32606   0.33550   0.34391
     Eigenvalues ---    0.34445   0.34480   0.34528   0.34603   0.34639
     Eigenvalues ---    0.34654   0.34662   0.34697   0.34707   0.34731
     Eigenvalues ---    0.34734   0.34736   0.34743   0.34748   0.34753
     Eigenvalues ---    0.34764   0.34776   0.34788   0.34797   0.34801
     Eigenvalues ---    0.34810   0.34818   0.34831   0.34834   0.34840
     Eigenvalues ---    0.34867   0.34895   0.34916   0.35184   0.35321
     Eigenvalues ---    0.35798   0.35883   0.35902   0.35923   0.35944
     Eigenvalues ---    0.35967   0.35984   0.35987   0.35996   0.36002
     Eigenvalues ---    0.36025   0.36033   0.36062   0.36165   0.37625
     Eigenvalues ---    0.39152   0.39876   0.40974   0.42195   0.42240
     Eigenvalues ---    0.42269   0.42336   0.42486   0.43022   0.44872
     Eigenvalues ---    0.45653   0.45906   0.46019   0.46076   0.46136
     Eigenvalues ---    0.46189   0.46205   0.46335   0.46418   0.46565
     Eigenvalues ---    0.46761   0.46764   0.46927   0.47187   0.47313
     Eigenvalues ---    0.48822   0.50942   0.52960   0.54294   0.55486
     Eigenvalues ---    0.57889   0.60733   0.90106   0.90441   0.92219
     Eigenvalues ---    0.968381000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    18   17   16   15   14
 RFO step:  Lambda=-2.30475942D-04.
 DIIS coeffs:      0.86507     -0.16308      0.59199     -0.30758      0.01360
 Iteration  1 RMS(Cart)=  0.11807772 RMS(Int)=  0.00126230
 Iteration  2 RMS(Cart)=  0.00329310 RMS(Int)=  0.00008454
 Iteration  3 RMS(Cart)=  0.00000368 RMS(Int)=  0.00008454
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00008454
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69138  -0.00128  -0.00029   0.00014  -0.00015   2.69122
    R2        1.82709   0.00056   0.00033   0.00062   0.00095   1.82804
    R3        2.36095   0.00027  -0.00056   0.00177   0.00121   2.36216
    R4        2.38564  -0.00198  -0.00082   0.00045  -0.00038   2.38526
    R5        2.36140   0.00026   0.00031  -0.00015   0.00016   2.36156
    R6        2.70538  -0.00033   0.00060  -0.00148  -0.00089   2.70449
    R7        2.63333  -0.00037  -0.00012  -0.00025  -0.00037   2.63296
    R8        2.73906   0.00073  -0.00064   0.00285   0.00221   2.74127
    R9        2.73099   0.00197  -0.00024   0.00562   0.00540   2.73640
   R10        2.66827  -0.00039  -0.00209   0.00387   0.00180   2.67007
   R11        2.73188  -0.00043  -0.00021   0.00039   0.00018   2.73206
   R12        2.59171   0.00017   0.00081  -0.00112  -0.00030   2.59141
   R13        1.89028  -0.00042   0.00054  -0.00023   0.00031   1.89060
   R14        2.73041  -0.00043   0.00037  -0.00084  -0.00047   2.72994
   R15        2.59550  -0.00012  -0.00089   0.00154   0.00064   2.59614
   R16        1.88166  -0.00003  -0.00039   0.00085   0.00046   1.88211
   R17        2.62465  -0.00004  -0.00016  -0.00026  -0.00039   2.62426
   R18        2.71011  -0.00007   0.00034  -0.00126  -0.00094   2.70917
   R19        1.87209   0.00028   0.00031   0.00002   0.00033   1.87242
   R20        2.91176  -0.00155  -0.00030   0.00024  -0.00006   2.91170
   R21        2.91783  -0.00177  -0.00137  -0.00245  -0.00382   2.91401
   R22        2.14561   0.00004  -0.00101   0.00128   0.00027   2.14588
   R23        2.91140   0.00249  -0.00063   0.00723   0.00661   2.91800
   R24        2.94114   0.00054   0.00056   0.00032   0.00089   2.94202
   R25        2.14673  -0.00037   0.00029  -0.00105  -0.00076   2.14597
   R26        2.87913  -0.00113   0.00076  -0.00163  -0.00087   2.87825
   R27        2.12628  -0.00009  -0.00089   0.00161   0.00072   2.12700
   R28        2.12017  -0.00034  -0.00116   0.00097  -0.00019   2.11998
   R29        2.94639  -0.00034  -0.00340   0.00339  -0.00001   2.94638
   R30        2.13347  -0.00034  -0.00023   0.00054   0.00031   2.13379
   R31        2.86614   0.00094   0.00064   0.00018   0.00082   2.86695
   R32        2.86462  -0.00119  -0.00019  -0.00208  -0.00227   2.86235
   R33        2.12743   0.00021  -0.00024   0.00108   0.00084   2.12827
   R34        2.91127  -0.00086  -0.00092  -0.00092  -0.00184   2.90943
   R35        2.14098  -0.00028  -0.00043   0.00011  -0.00031   2.14067
   R36        2.81072  -0.00036   0.00013  -0.00162  -0.00149   2.80924
   R37        2.12315  -0.00037  -0.00035   0.00012  -0.00023   2.12292
   R38        2.12259  -0.00007  -0.00048   0.00080   0.00032   2.12291
   R39        2.88576  -0.00039   0.00003  -0.00188  -0.00184   2.88393
   R40        2.13329   0.00028   0.00013   0.00047   0.00060   2.13389
   R41        2.13716  -0.00010  -0.00077   0.00132   0.00055   2.13771
   R42        2.88489   0.00006   0.00019  -0.00043  -0.00031   2.88457
   R43        2.11532  -0.00017  -0.00012   0.00011   0.00000   2.11532
   R44        2.12425  -0.00033  -0.00057   0.00112   0.00055   2.12480
   R45        2.80867   0.00014   0.00056  -0.00071  -0.00015   2.80852
   R46        2.12321  -0.00026  -0.00017   0.00013  -0.00004   2.12317
   R47        2.12356  -0.00010  -0.00070   0.00094   0.00024   2.12379
   R48        2.11053  -0.00019  -0.00044   0.00045   0.00001   2.11054
   R49        2.11109  -0.00023  -0.00037   0.00031  -0.00006   2.11103
   R50        2.11133  -0.00010  -0.00038   0.00061   0.00023   2.11156
   R51        2.11091  -0.00023  -0.00030   0.00008  -0.00021   2.11070
   R52        2.10900  -0.00004  -0.00051   0.00075   0.00024   2.10925
   R53        2.11180  -0.00013  -0.00020   0.00020   0.00000   2.11180
   R54        2.13121  -0.00029  -0.00013  -0.00026  -0.00039   2.13082
   R55        2.13483   0.00001  -0.00050   0.00067   0.00016   2.13499
   R56        2.64620   0.00002  -0.00008   0.00015   0.00007   2.64626
   R57        2.64719  -0.00051  -0.00041  -0.00021  -0.00062   2.64656
   R58        2.64703  -0.00006  -0.00002  -0.00016  -0.00019   2.64684
   R59        2.64483   0.00006  -0.00004   0.00003  -0.00001   2.64482
   R60        2.88634   0.00008   0.00085  -0.00163  -0.00078   2.88556
   R61        2.63342  -0.00002   0.00006   0.00001   0.00007   2.63349
   R62        2.07916  -0.00004  -0.00026   0.00040   0.00015   2.07930
   R63        2.63499  -0.00009   0.00010  -0.00015  -0.00005   2.63494
   R64        2.08426  -0.00021  -0.00060   0.00101   0.00041   2.08467
   R65        2.63289  -0.00007   0.00006  -0.00009  -0.00004   2.63285
   R66        2.07946  -0.00010  -0.00029   0.00031   0.00002   2.07948
   R67        2.63502  -0.00012   0.00003  -0.00009  -0.00006   2.63496
   R68        2.07977  -0.00010  -0.00029   0.00035   0.00006   2.07983
   R69        2.12516  -0.00025  -0.00060   0.00077   0.00018   2.12534
   R70        2.11654   0.00010   0.00042  -0.00020   0.00022   2.11676
   R71        2.63577  -0.00004   0.00011  -0.00017  -0.00006   2.63571
   R72        2.07845  -0.00006  -0.00021   0.00029   0.00008   2.07853
   R73        2.63510   0.00010   0.00013   0.00000   0.00013   2.63523
   R74        2.07913  -0.00004  -0.00021   0.00035   0.00014   2.07927
   R75        2.07813  -0.00009  -0.00017   0.00023   0.00006   2.07818
   R76        2.63646  -0.00003   0.00008  -0.00015  -0.00007   2.63640
   R77        2.07868  -0.00008  -0.00021   0.00026   0.00005   2.07873
   R78        2.63469   0.00000   0.00009  -0.00014  -0.00005   2.63464
   R79        2.07847  -0.00008  -0.00020   0.00026   0.00005   2.07852
   R80        2.07794  -0.00010  -0.00016   0.00018   0.00002   2.07796
   R81        2.65857   0.00044  -0.00030   0.00023  -0.00007   2.65851
   R82        2.66034  -0.00069  -0.00052   0.00025  -0.00028   2.66006
   R83        2.64378  -0.00010  -0.00056   0.00079   0.00023   2.64400
   R84        2.79649   0.00035   0.00100  -0.00151  -0.00051   2.79599
   R85        2.64293   0.00021   0.00036  -0.00029   0.00006   2.64299
   R86        2.79747   0.00014   0.00075  -0.00103  -0.00028   2.79719
   R87        2.63176   0.00010   0.00065  -0.00062   0.00002   2.63179
   R88        2.08006  -0.00011  -0.00008   0.00008   0.00000   2.08006
   R89        2.63230  -0.00009  -0.00053   0.00096   0.00043   2.63273
   R90        2.07968   0.00000  -0.00015   0.00034   0.00019   2.07988
   R91        2.11270  -0.00022  -0.00042   0.00045   0.00003   2.11273
   R92        2.11724  -0.00007  -0.00029   0.00042   0.00013   2.11737
   R93        2.11491   0.00001  -0.00028   0.00055   0.00027   2.11518
   R94        2.11189  -0.00005  -0.00029   0.00045   0.00016   2.11206
   R95        2.11503  -0.00012  -0.00034   0.00045   0.00011   2.11514
   R96        2.11626  -0.00013  -0.00044   0.00058   0.00014   2.11640
   R97        2.07907  -0.00001  -0.00014   0.00032   0.00018   2.07924
    A1        1.88263  -0.00116  -0.00309   0.00516   0.00206   1.88469
    A2        1.99220  -0.00020  -0.00049   0.00081   0.00032   1.99252
    A3        2.06263   0.00097   0.00547  -0.01094  -0.00654   2.05610
    A4        2.04856  -0.00067   0.00118  -0.01202  -0.01157   2.03699
    A5        2.10387  -0.00030   0.00353  -0.01167  -0.00916   2.09471
    A6        2.15522   0.00093  -0.00259   0.00967   0.00708   2.16230
    A7        2.04516  -0.00060   0.00082  -0.00441  -0.00360   2.04157
    A8        2.07109  -0.00030   0.00113  -0.00334  -0.00221   2.06887
    A9        2.13519   0.00009   0.00228  -0.00517  -0.00302   2.13216
   A10        2.03665   0.00004  -0.00053  -0.00056  -0.00123   2.03542
   A11        2.07174  -0.00012   0.00025  -0.00238  -0.00228   2.06946
   A12        2.13335   0.00009   0.00089  -0.00406  -0.00351   2.12985
   A13        2.05041  -0.00016   0.00060  -0.00122  -0.00077   2.04964
   A14        2.09573   0.00005  -0.00053   0.00073   0.00006   2.09579
   A15        1.99763  -0.00106  -0.00432   0.00444   0.00013   1.99776
   A16        1.95080  -0.00080   0.00068  -0.00751  -0.00680   1.94401
   A17        1.87669   0.00066  -0.00014   0.00229   0.00213   1.87882
   A18        1.90657   0.00151  -0.00066   0.00427   0.00362   1.91019
   A19        1.84461  -0.00002   0.00310  -0.00118   0.00191   1.84652
   A20        1.88079  -0.00024   0.00183  -0.00241  -0.00058   1.88021
   A21        1.99517  -0.00036   0.00364  -0.00060   0.00300   1.99817
   A22        1.91585  -0.00086  -0.00621   0.00634   0.00014   1.91599
   A23        1.87483   0.00006   0.00136  -0.00912  -0.00775   1.86708
   A24        1.90988   0.00191   0.00519   0.00063   0.00579   1.91566
   A25        1.86852  -0.00036  -0.00235   0.00212  -0.00024   1.86828
   A26        1.89661  -0.00043  -0.00184   0.00033  -0.00152   1.89510
   A27        2.00537  -0.00268  -0.00362  -0.00020  -0.00383   2.00154
   A28        1.88619   0.00064  -0.00177   0.00164  -0.00014   1.88605
   A29        1.87071   0.00097   0.00452  -0.00184   0.00267   1.87338
   A30        1.90263   0.00048   0.00070  -0.00287  -0.00216   1.90047
   A31        1.91686   0.00109   0.00103   0.00289   0.00391   1.92077
   A32        1.87788  -0.00040  -0.00074   0.00046  -0.00027   1.87761
   A33        1.95965  -0.00120  -0.00297   0.00391   0.00095   1.96060
   A34        1.85707   0.00076   0.00050   0.00160   0.00208   1.85915
   A35        1.88532   0.00002   0.00049  -0.00405  -0.00355   1.88178
   A36        1.94466   0.00060   0.00347  -0.00436  -0.00090   1.94377
   A37        1.91924   0.00000  -0.00177   0.00256   0.00080   1.92004
   A38        1.89526  -0.00015   0.00036   0.00018   0.00054   1.89580
   A39        1.90580   0.00121   0.00210  -0.00091   0.00121   1.90701
   A40        1.94067  -0.00064  -0.00151   0.00188   0.00036   1.94103
   A41        1.89878  -0.00014   0.00115  -0.00068   0.00048   1.89926
   A42        1.91369  -0.00063  -0.00227   0.00012  -0.00215   1.91153
   A43        1.89275   0.00002   0.00021   0.00081   0.00103   1.89378
   A44        1.91146   0.00021   0.00037  -0.00126  -0.00088   1.91058
   A45        1.95488   0.00008  -0.00080   0.00285   0.00204   1.95693
   A46        1.95154  -0.00020  -0.00147   0.00055  -0.00091   1.95062
   A47        1.87470   0.00018   0.00132  -0.00101   0.00031   1.87501
   A48        1.90699   0.00000   0.00096  -0.00219  -0.00123   1.90577
   A49        1.87066  -0.00006  -0.00008   0.00019   0.00010   1.87077
   A50        1.90242   0.00002   0.00015  -0.00043  -0.00029   1.90213
   A51        1.96830  -0.00172  -0.00123  -0.00424  -0.00548   1.96282
   A52        1.91537   0.00052  -0.00173   0.00195   0.00019   1.91556
   A53        1.87340   0.00046   0.00193   0.00007   0.00200   1.87539
   A54        1.92107   0.00031   0.00157  -0.00386  -0.00229   1.91878
   A55        1.90896   0.00076   0.00038   0.00420   0.00458   1.91354
   A56        1.87381  -0.00025  -0.00089   0.00234   0.00145   1.87526
   A57        2.13743   0.00003  -0.00045   0.00207   0.00161   2.13904
   A58        2.12749   0.00118   0.00201  -0.00107   0.00093   2.12841
   A59        2.01523  -0.00120  -0.00150  -0.00140  -0.00291   2.01232
   A60        2.00332  -0.00005  -0.00183   0.00367   0.00177   2.00509
   A61        1.87528  -0.00004   0.00407  -0.00784  -0.00381   1.87147
   A62        1.90453   0.00005  -0.00209   0.00453   0.00253   1.90707
   A63        1.90334  -0.00003  -0.00066   0.00174   0.00120   1.90454
   A64        1.89338   0.00006   0.00077  -0.00324  -0.00254   1.89084
   A65        1.88047   0.00001  -0.00019   0.00105   0.00085   1.88132
   A66        1.93945  -0.00017   0.00059  -0.00131  -0.00069   1.93876
   A67        1.90043  -0.00007  -0.00034  -0.00048  -0.00081   1.89962
   A68        1.91411   0.00022   0.00099  -0.00143  -0.00046   1.91365
   A69        1.90435   0.00009   0.00075  -0.00121  -0.00041   1.90394
   A70        1.92037   0.00001  -0.00058   0.00257   0.00192   1.92229
   A71        1.88414  -0.00008  -0.00146   0.00191   0.00045   1.88459
   A72        1.96710   0.00013  -0.00076   0.00053  -0.00023   1.96687
   A73        1.90886  -0.00032  -0.00069   0.00001  -0.00068   1.90818
   A74        1.87793  -0.00001   0.00118  -0.00229  -0.00111   1.87682
   A75        1.93250   0.00010   0.00042   0.00052   0.00094   1.93345
   A76        1.90835  -0.00007   0.00021  -0.00040  -0.00019   1.90816
   A77        1.86554   0.00018  -0.00031   0.00161   0.00130   1.86684
   A78        2.11493  -0.00091  -0.00190   0.00020  -0.00181   2.11311
   A79        2.08041   0.00088   0.00264  -0.00098   0.00153   2.08195
   A80        2.08769   0.00002  -0.00055   0.00037  -0.00051   2.08719
   A81        1.93365  -0.00012  -0.00046   0.00028  -0.00018   1.93347
   A82        1.91322  -0.00005  -0.00029   0.00006  -0.00023   1.91299
   A83        1.92900   0.00088   0.00161  -0.00005   0.00156   1.93056
   A84        1.89383  -0.00010  -0.00018  -0.00068  -0.00085   1.89297
   A85        1.90122  -0.00025   0.00004   0.00003   0.00007   1.90129
   A86        1.89207  -0.00039  -0.00075   0.00034  -0.00041   1.89166
   A87        1.93034  -0.00001  -0.00017  -0.00023  -0.00040   1.92994
   A88        1.94252  -0.00027   0.00095  -0.00139  -0.00044   1.94208
   A89        1.91573  -0.00004   0.00011  -0.00079  -0.00068   1.91505
   A90        1.89279   0.00012  -0.00045   0.00100   0.00055   1.89334
   A91        1.89318   0.00005  -0.00009   0.00040   0.00031   1.89349
   A92        1.88805   0.00016  -0.00039   0.00111   0.00072   1.88877
   A93        1.96227   0.00024  -0.00019  -0.00075  -0.00114   1.96113
   A94        1.90052  -0.00014  -0.00100   0.00143   0.00051   1.90103
   A95        1.90540  -0.00002   0.00083  -0.00174  -0.00086   1.90454
   A96        1.90900  -0.00004  -0.00047   0.00100   0.00057   1.90957
   A97        1.90396  -0.00005   0.00073  -0.00022   0.00060   1.90456
   A98        1.88095   0.00000   0.00010   0.00031   0.00038   1.88134
   A99        2.09417   0.00032   0.00040   0.00000   0.00040   2.09457
   A100       2.10678  -0.00040  -0.00082   0.00037  -0.00044   2.10633
   A101       2.08211   0.00009   0.00044  -0.00035   0.00009   2.08220
   A102       2.10106  -0.00008  -0.00027   0.00017  -0.00010   2.10096
   A103       2.10165   0.00007   0.00010  -0.00005   0.00004   2.10170
   A104       2.08030   0.00001   0.00018  -0.00010   0.00008   2.08038
   A105       2.13709   0.00003   0.00059  -0.00074  -0.00015   2.13694
   A106       2.06114   0.00046   0.00046   0.00028   0.00073   2.06187
   A107       2.08391  -0.00050  -0.00063  -0.00079  -0.00142   2.08248
   A108       2.10071  -0.00003  -0.00024   0.00029   0.00005   2.10076
   A109       2.08976   0.00005   0.00005   0.00030   0.00034   2.09011
   A110       2.09271  -0.00002   0.00019  -0.00058  -0.00039   2.09232
   A111       2.09762   0.00006  -0.00010   0.00003  -0.00007   2.09755
   A112       2.09929   0.00000  -0.00052   0.00150   0.00098   2.10027
   A113       2.08627  -0.00006   0.00062  -0.00153  -0.00090   2.08536
   A114       2.10088   0.00000  -0.00005   0.00004  -0.00002   2.10086
   A115       2.08896  -0.00003   0.00004  -0.00010  -0.00006   2.08889
   A116       2.09334   0.00003   0.00002   0.00007   0.00008   2.09342
   A117       2.10050  -0.00002  -0.00008  -0.00001  -0.00008   2.10042
   A118       2.09148  -0.00001   0.00023  -0.00028  -0.00005   2.09142
   A119       2.09121   0.00003  -0.00015   0.00029   0.00014   2.09135
   A120       1.94248  -0.00071   0.00154  -0.00431  -0.00277   1.93971
   A121       1.86803   0.00034  -0.00052   0.00119   0.00066   1.86869
   A122       1.95800   0.00002  -0.00092   0.00168   0.00076   1.95876
   A123       1.88186   0.00021  -0.00163   0.00252   0.00089   1.88275
   A124       1.89277   0.00015   0.00063  -0.00025   0.00038   1.89314
   A125       1.91927  -0.00001   0.00087  -0.00077   0.00011   1.91938
   A126       2.09615  -0.00005  -0.00010   0.00000  -0.00010   2.09606
   A127       2.09218   0.00002   0.00007  -0.00006   0.00001   2.09219
   A128       2.09485   0.00004   0.00003   0.00006   0.00009   2.09494
   A129       2.09848  -0.00002  -0.00018   0.00037   0.00019   2.09867
   A130       2.08854   0.00003   0.00014  -0.00030  -0.00016   2.08838
   A131       2.09616  -0.00001   0.00004  -0.00007  -0.00003   2.09613
   A132       2.09130  -0.00004   0.00018  -0.00035  -0.00017   2.09113
   A133       2.09566   0.00003  -0.00007   0.00016   0.00008   2.09574
   A134       2.09623   0.00001  -0.00011   0.00019   0.00009   2.09631
   A135       2.09678  -0.00001  -0.00011   0.00011   0.00000   2.09679
   A136       2.09205   0.00000   0.00010  -0.00010   0.00000   2.09205
   A137       2.09436   0.00001   0.00001  -0.00001  -0.00001   2.09435
   A138       2.09711   0.00000  -0.00008   0.00011   0.00004   2.09714
   A139       2.09173   0.00000   0.00005  -0.00008  -0.00003   2.09170
   A140       2.09435   0.00001   0.00003  -0.00003   0.00000   2.09435
   A141       2.09079   0.00002   0.00013  -0.00015  -0.00002   2.09077
   A142       2.09582  -0.00001  -0.00007   0.00008   0.00001   2.09582
   A143       2.09658  -0.00001  -0.00006   0.00007   0.00001   2.09659
   A144       2.05559  -0.00056   0.00290  -0.00507  -0.00217   2.05342
   A145       2.10443   0.00042  -0.00210   0.00368   0.00158   2.10601
   A146       2.11877   0.00015  -0.00090   0.00143   0.00053   2.11930
   A147       2.06797  -0.00008   0.00015  -0.00018  -0.00003   2.06793
   A148       2.11300  -0.00016   0.00123  -0.00204  -0.00080   2.11219
   A149       2.10216   0.00024  -0.00137   0.00221   0.00084   2.10300
   A150       2.06887  -0.00006   0.00119  -0.00162  -0.00043   2.06844
   A151       2.11583   0.00002   0.00003  -0.00030  -0.00027   2.11556
   A152       2.09848   0.00004  -0.00122   0.00193   0.00071   2.09918
   A153       2.10604  -0.00005   0.00068  -0.00099  -0.00030   2.10573
   A154       2.08522  -0.00009   0.00021  -0.00072  -0.00051   2.08471
   A155       2.09193   0.00014  -0.00090   0.00171   0.00081   2.09274
   A156       2.10498   0.00008  -0.00047   0.00060   0.00013   2.10511
   A157       2.08451   0.00004  -0.00009   0.00055   0.00045   2.08496
   A158       2.09369  -0.00011   0.00056  -0.00115  -0.00059   2.09310
   A159       1.94071  -0.00003   0.00024  -0.00052  -0.00028   1.94044
   A160       1.92302   0.00005  -0.00043   0.00036  -0.00007   1.92295
   A161       1.92317   0.00010   0.00054  -0.00052   0.00002   1.92318
   A162       1.88959  -0.00001  -0.00063   0.00069   0.00006   1.88965
   A163       1.89303   0.00005  -0.00044   0.00124   0.00079   1.89382
   A164       1.89321  -0.00017   0.00072  -0.00124  -0.00052   1.89269
   A165       1.93907   0.00003   0.00009  -0.00010  -0.00001   1.93906
   A166       1.92567   0.00003   0.00002  -0.00021  -0.00019   1.92548
   A167       1.92215   0.00007  -0.00014   0.00039   0.00025   1.92241
   A168       1.89609  -0.00006  -0.00023   0.00030   0.00007   1.89616
   A169       1.89074  -0.00006  -0.00001  -0.00002  -0.00003   1.89071
   A170       1.88895  -0.00003   0.00027  -0.00037  -0.00010   1.88885
   A171       2.09964  -0.00003  -0.00065   0.00076   0.00011   2.09975
   A172       2.09093   0.00014  -0.00006   0.00063   0.00057   2.09150
   A173       2.09260  -0.00011   0.00071  -0.00139  -0.00068   2.09192
    D1       -0.61220   0.00071  -0.01894   0.08703   0.06810  -0.54410
    D2       -2.74398   0.00018  -0.02176   0.08900   0.06724  -2.67675
    D3        1.50697  -0.00004  -0.02267   0.08996   0.06729   1.57427
    D4        2.40100  -0.00012  -0.00159  -0.00067  -0.00226   2.39874
    D5       -1.83005  -0.00005  -0.00303   0.00071  -0.00231  -1.83236
    D6        0.27662   0.00018  -0.00284   0.00155  -0.00129   0.27533
    D7       -2.05509  -0.00019   0.00721  -0.02203  -0.01481  -2.06990
    D8        1.18566  -0.00023   0.00839  -0.02251  -0.01413   1.17153
    D9        0.89786   0.00036  -0.02880   0.03058   0.00173   0.89959
   D10       -1.25561  -0.00123  -0.03340   0.02525  -0.00822  -1.26384
   D11        2.96832  -0.00027  -0.02861   0.02662  -0.00207   2.96625
   D12       -2.62923   0.00028  -0.00176  -0.06553  -0.06720  -2.69644
   D13        1.50048  -0.00130  -0.00635  -0.07087  -0.07716   1.42332
   D14       -0.55876  -0.00035  -0.00157  -0.06950  -0.07101  -0.62977
   D15        2.55794   0.00003   0.02178  -0.05857  -0.03704   2.52089
   D16       -1.60528  -0.00007   0.02272  -0.05971  -0.03715  -1.64243
   D17        0.42898  -0.00005   0.02360  -0.06036  -0.03691   0.39208
   D18       -0.18551   0.00018  -0.00590   0.04077   0.03477  -0.15074
   D19        1.93445   0.00009  -0.00496   0.03964   0.03467   1.96912
   D20       -2.31447   0.00010  -0.00408   0.03898   0.03491  -2.27955
   D21        0.12978   0.00004  -0.01571   0.05775   0.04173   0.17150
   D22       -3.03048  -0.00064  -0.01825   0.03225   0.01358  -3.01690
   D23        2.87633   0.00025   0.01216  -0.04058  -0.02822   2.84810
   D24       -0.28392  -0.00043   0.00962  -0.06608  -0.05638  -0.34030
   D25       -1.07538   0.00077  -0.00668   0.07585   0.06917  -1.00622
   D26        3.02875   0.00022  -0.00294   0.07273   0.06978   3.09853
   D27        0.96796   0.00056  -0.00548   0.07853   0.07305   1.04101
   D28        2.23257   0.00064  -0.00250   0.06274   0.06025   2.29282
   D29        0.05352   0.00010   0.00125   0.05961   0.06086   0.11438
   D30       -2.00727   0.00043  -0.00129   0.06541   0.06413  -1.94314
   D31        0.17877   0.00024  -0.00138   0.00741   0.00602   0.18479
   D32       -3.04505   0.00041  -0.00078   0.00190   0.00112  -3.04394
   D33       -3.13151   0.00034  -0.00567   0.02064   0.01497  -3.11655
   D34       -0.07215   0.00051  -0.00507   0.01512   0.01006  -0.06208
   D35       -1.65667  -0.00014  -0.00507   0.02974   0.02465  -1.63202
   D36        2.47928  -0.00004  -0.00465   0.03008   0.02542   2.50470
   D37        0.39287  -0.00007  -0.00480   0.03094   0.02612   0.41899
   D38        1.18208  -0.00012   0.00175  -0.00083   0.00093   1.18301
   D39       -0.96516  -0.00002   0.00217  -0.00048   0.00170  -0.96346
   D40       -3.05157  -0.00004   0.00202   0.00037   0.00240  -3.04917
   D41       -0.11758  -0.00007   0.01172  -0.03475  -0.02303  -0.14061
   D42        3.07419   0.00020  -0.00108  -0.00487  -0.00594   3.06825
   D43       -2.95052  -0.00012   0.00487  -0.00389   0.00097  -2.94955
   D44        0.24125   0.00014  -0.00793   0.02600   0.01806   0.25931
   D45       -3.00107  -0.00027  -0.01060   0.02916   0.01848  -2.98259
   D46        0.15881   0.00042  -0.00798   0.05415   0.04616   0.20497
   D47        0.04816  -0.00044   0.00349  -0.02744  -0.02399   0.02416
   D48       -3.07515   0.00025   0.00611  -0.00246   0.00369  -3.07146
   D49        0.41670  -0.00002   0.00255  -0.01733  -0.01471   0.40199
   D50        2.53510  -0.00002   0.00115  -0.01556  -0.01438   2.52073
   D51       -1.69872  -0.00010   0.00117  -0.01536  -0.01412  -1.71283
   D52       -2.63019   0.00016  -0.01190   0.04081   0.02892  -2.60128
   D53       -0.51179   0.00016  -0.01330   0.04258   0.02925  -0.48254
   D54        1.53758   0.00008  -0.01328   0.04279   0.02951   1.56708
   D55       -0.86468   0.00078   0.01443   0.02346   0.03792  -0.82677
   D56        1.26383   0.00007   0.01160   0.02085   0.03246   1.29629
   D57       -2.99995   0.00042   0.01216   0.02126   0.03344  -2.96651
   D58        1.33755   0.00014   0.01158   0.02030   0.03188   1.36943
   D59       -2.81712  -0.00057   0.00876   0.01768   0.02642  -2.79070
   D60       -0.79771  -0.00022   0.00932   0.01810   0.02740  -0.77031
   D61       -2.92633   0.00058   0.01501   0.01893   0.03395  -2.89238
   D62       -0.79781  -0.00013   0.01219   0.01632   0.02849  -0.76932
   D63        1.22159   0.00023   0.01275   0.01673   0.02947   1.25107
   D64       -1.05949  -0.00002   0.02142   0.01153   0.03295  -1.02654
   D65        1.08900  -0.00045   0.02133   0.00500   0.02632   1.11532
   D66        3.12003  -0.00023   0.02042   0.00884   0.02926  -3.13390
   D67        2.99487   0.00080   0.02706   0.00803   0.03508   3.02995
   D68       -1.13982   0.00037   0.02697   0.00149   0.02845  -1.11137
   D69        0.89121   0.00059   0.02605   0.00533   0.03139   0.92260
   D70        0.99885   0.00018   0.02278   0.00851   0.03130   1.03015
   D71       -3.13585  -0.00026   0.02269   0.00198   0.02467  -3.11118
   D72       -1.10481  -0.00003   0.02178   0.00582   0.02760  -1.07721
   D73        3.08382  -0.00084   0.01281  -0.04995  -0.03712   3.04670
   D74        0.96992  -0.00044   0.01523  -0.05071  -0.03546   0.93446
   D75       -1.13659  -0.00021   0.01496  -0.04988  -0.03490  -1.17150
   D76       -1.04268  -0.00075   0.01136  -0.04155  -0.03020  -1.07288
   D77        3.12660  -0.00035   0.01378  -0.04231  -0.02854   3.09806
   D78        1.02009  -0.00012   0.01352  -0.04149  -0.02799   0.99210
   D79        1.00978  -0.00045   0.01058  -0.03964  -0.02906   0.98072
   D80       -1.10413  -0.00005   0.01301  -0.04040  -0.02740  -1.13153
   D81        3.07255   0.00018   0.01274  -0.03958  -0.02684   3.04571
   D82        1.74385   0.00017   0.01019  -0.03280  -0.02259   1.72126
   D83       -1.31604   0.00005   0.00969  -0.02748  -0.01775  -1.33379
   D84       -0.45891  -0.00011   0.00633  -0.03693  -0.03062  -0.48954
   D85        2.76439  -0.00023   0.00584  -0.03161  -0.02579   2.73860
   D86       -2.49367  -0.00050   0.00732  -0.04000  -0.03269  -2.52636
   D87        0.72964  -0.00062   0.00683  -0.03468  -0.02786   0.70178
   D88        1.77675  -0.00092  -0.02456  -0.00110  -0.02567   1.75109
   D89       -2.42522  -0.00035  -0.02359   0.00059  -0.02299  -2.44821
   D90       -0.32288  -0.00015  -0.02206  -0.00031  -0.02235  -0.34524
   D91       -0.34283  -0.00027  -0.02031  -0.00092  -0.02125  -0.36407
   D92        1.73838   0.00030  -0.01933   0.00077  -0.01857   1.71982
   D93       -2.44246   0.00050  -0.01780  -0.00013  -0.01794  -2.46040
   D94       -2.39626  -0.00070  -0.02043  -0.00146  -0.02190  -2.41816
   D95       -0.31505  -0.00013  -0.01945   0.00023  -0.01922  -0.33427
   D96        1.78729   0.00007  -0.01793  -0.00067  -0.01859   1.76870
   D97       -1.18097  -0.00020  -0.01008   0.01661   0.00653  -1.17444
   D98        0.99126  -0.00041  -0.01183   0.01772   0.00589   0.99714
   D99        3.05026  -0.00042  -0.01119   0.01614   0.00494   3.05521
   D100       2.96097   0.00042  -0.00884   0.01338   0.00454   2.96550
   D101      -1.14999   0.00021  -0.01059   0.01448   0.00389  -1.14610
   D102       0.90901   0.00020  -0.00995   0.01290   0.00295   0.91196
   D103       0.84459   0.00014  -0.00908   0.01281   0.00374   0.84834
   D104       3.01682  -0.00007  -0.01082   0.01392   0.00310   3.01992
   D105      -1.20736  -0.00008  -0.01019   0.01234   0.00216  -1.20521
   D106      -1.06689   0.00023   0.00175   0.00405   0.00580  -1.06109
   D107       3.12672   0.00046   0.00245   0.00468   0.00712   3.13385
   D108       1.04223   0.00042   0.00256   0.00425   0.00681   1.04904
   D109       1.06335  -0.00019  -0.00022   0.00588   0.00566   1.06901
   D110      -1.02622   0.00004   0.00047   0.00650   0.00698  -1.01925
   D111      -3.11072   0.00000   0.00058   0.00607   0.00666  -3.10406
   D112      -3.13344  -0.00030  -0.00097   0.00491   0.00394  -3.12949
   D113       1.06017  -0.00007  -0.00027   0.00554   0.00526   1.06544
   D114      -1.02432  -0.00011  -0.00016   0.00511   0.00495  -1.01937
   D115       0.91420   0.00037  -0.00146  -0.00245  -0.00391   0.91029
   D116      -1.19108   0.00040  -0.00142  -0.00262  -0.00404  -1.19512
   D117       3.00249   0.00040  -0.00161  -0.00260  -0.00421   2.99828
   D118      -1.19508  -0.00031  -0.00162  -0.00261  -0.00423  -1.19930
   D119       2.98283  -0.00028  -0.00158  -0.00279  -0.00436   2.97847
   D120       0.89322  -0.00029  -0.00177  -0.00276  -0.00453   0.88869
   D121       3.01323  -0.00008  -0.00074  -0.00292  -0.00366   3.00956
   D122       0.90795  -0.00005  -0.00070  -0.00310  -0.00380   0.90415
   D123      -1.18167  -0.00005  -0.00089  -0.00307  -0.00397  -1.18563
   D124      -1.11799   0.00001  -0.00884   0.02210   0.01326  -1.10474
   D125       1.03963  -0.00001  -0.00934   0.02315   0.01381   1.05344
   D126       3.05996   0.00003  -0.00943   0.02381   0.01439   3.07435
   D127       2.99101   0.00006  -0.00748   0.01964   0.01216   3.00317
   D128      -1.13455   0.00003  -0.00798   0.02070   0.01272  -1.12183
   D129       0.88578   0.00007  -0.00807   0.02136   0.01329   0.89908
   D130       0.95202   0.00012  -0.00801   0.02090   0.01289   0.96491
   D131       3.10964   0.00010  -0.00850   0.02195   0.01345   3.12309
   D132      -1.15321   0.00014  -0.00859   0.02261   0.01402  -1.13919
   D133      -1.56600   0.00001   0.01321  -0.02507  -0.01185  -1.57785
   D134       1.59335  -0.00011   0.01065  -0.02662  -0.01596   1.57739
   D135       2.57187   0.00033   0.01517  -0.02175  -0.00659   2.56528
   D136      -0.55196   0.00021   0.01261  -0.02330  -0.01070  -0.56266
   D137       0.51717   0.00000   0.01510  -0.02484  -0.00974   0.50744
   D138      -2.60666  -0.00012   0.01254  -0.02639  -0.01385  -2.62051
   D139       0.73242  -0.00003   0.00110  -0.00577  -0.00477   0.72765
   D140       2.83043  -0.00008   0.00217  -0.00838  -0.00623   2.82420
   D141      -1.39463  -0.00009   0.00077  -0.00717  -0.00642  -1.40106
   D142      -1.37216   0.00007  -0.00242   0.00059  -0.00193  -1.37409
   D143       0.72584   0.00003  -0.00135  -0.00203  -0.00339   0.72245
   D144       2.78397   0.00002  -0.00275  -0.00082  -0.00358   2.78038
   D145       2.86742   0.00004  -0.00226   0.00018  -0.00219   2.86524
   D146      -1.31776   0.00000  -0.00119  -0.00243  -0.00364  -1.32140
   D147       0.74037  -0.00001  -0.00259  -0.00122  -0.00384   0.73653
   D148      -0.83815  -0.00019   0.00039  -0.00615  -0.00571  -0.84386
   D149      -2.95170  -0.00014   0.00210  -0.00817  -0.00600  -2.95770
   D150       1.27809  -0.00009   0.00183  -0.00900  -0.00714   1.27095
   D151      -2.93382  -0.00005  -0.00004  -0.00397  -0.00401  -2.93784
   D152       1.23581   0.00000   0.00167  -0.00598  -0.00430   1.23150
   D153      -0.81759   0.00005   0.00140  -0.00681  -0.00544  -0.82303
   D154       1.28526  -0.00001   0.00163  -0.00708  -0.00545   1.27981
   D155      -0.82829   0.00004   0.00334  -0.00910  -0.00574  -0.83404
   D156      -2.88169   0.00008   0.00307  -0.00993  -0.00688  -2.88857
   D157      -1.16430  -0.00013   0.00133  -0.00065   0.00067  -1.16363
   D158       1.99704  -0.00018   0.00057  -0.00138  -0.00081   1.99623
   D159       2.97442   0.00012   0.00246  -0.00143   0.00103   2.97544
   D160      -0.14743   0.00007   0.00171  -0.00216  -0.00046  -0.14788
   D161       0.92341  -0.00011   0.00247  -0.00347  -0.00100   0.92241
   D162      -2.19844  -0.00017   0.00172  -0.00420  -0.00249  -2.20092
   D163      -3.12566  -0.00008  -0.00200  -0.00001  -0.00201  -3.12767
   D164       0.01417  -0.00007  -0.00215   0.00016  -0.00199   0.01218
   D165      -0.00158   0.00003   0.00052   0.00152   0.00204   0.00046
   D166       3.13826   0.00004   0.00037   0.00170   0.00206   3.14032
   D167       3.12497   0.00010   0.00236   0.00008   0.00245   3.12742
   D168      -0.02027   0.00016   0.00199   0.00247   0.00447  -0.01580
   D169       0.00102  -0.00001  -0.00018  -0.00146  -0.00164  -0.00062
   D170       3.13896   0.00005  -0.00055   0.00093   0.00038   3.13934
   D171      -3.12566  -0.00001  -0.00098   0.00062  -0.00035  -3.12601
   D172       0.01845   0.00003  -0.00093   0.00124   0.00030   0.01876
   D173      -0.00357   0.00005  -0.00024   0.00135   0.00111  -0.00246
   D174       3.14054   0.00008  -0.00019   0.00196   0.00177  -3.14088
   D175       3.12326   0.00001   0.00105  -0.00076   0.00029   3.12356
   D176      -0.01719  -0.00002   0.00083  -0.00081   0.00003  -0.01717
   D177       0.00118  -0.00004   0.00031  -0.00148  -0.00117   0.00001
   D178      -3.13927  -0.00007   0.00010  -0.00153  -0.00143  -3.14071
   D179       2.78022   0.00030  -0.00563   0.01911   0.01349   2.79371
   D180       0.73648   0.00015  -0.00487   0.01857   0.01371   0.75018
   D181      -1.34109  -0.00004  -0.00534   0.01821   0.01287  -1.32821
   D182      -0.40937   0.00004   0.00662  -0.00950  -0.00289  -0.41226
   D183      -2.45312  -0.00011   0.00737  -0.01004  -0.00267  -2.45579
   D184       1.75250  -0.00030   0.00690  -0.01040  -0.00350   1.74900
   D185       0.00145  -0.00003  -0.00049  -0.00057  -0.00106   0.00039
   D186       3.14114   0.00000  -0.00027   0.00009  -0.00019   3.14095
   D187      -3.13838  -0.00004  -0.00034  -0.00074  -0.00109  -3.13947
   D188       0.00131  -0.00001  -0.00012  -0.00009  -0.00021   0.00110
   D189      -0.00033  -0.00001  -0.00019   0.00045   0.00027  -0.00006
   D190       3.14012   0.00000  -0.00059   0.00159   0.00100   3.14112
   D191      -3.13830  -0.00007   0.00019  -0.00193  -0.00174  -3.14004
   D192       0.00214  -0.00006  -0.00021  -0.00079  -0.00100   0.00114
   D193       0.00328  -0.00002  -0.00001  -0.00027  -0.00028   0.00299
   D194      -3.13732  -0.00001   0.00015  -0.00022  -0.00007  -3.13738
   D195      -3.14084  -0.00005  -0.00006  -0.00088  -0.00094   3.14140
   D196       0.00175  -0.00004   0.00010  -0.00083  -0.00073   0.00103
   D197       0.00151   0.00000  -0.00014   0.00054   0.00040   0.00191
   D198      -3.14007   0.00000  -0.00025   0.00053   0.00028  -3.13979
   D199      -3.14122   0.00004   0.00008   0.00059   0.00067  -3.14055
   D200       0.00039   0.00003  -0.00003   0.00058   0.00055   0.00093
   D201      -0.00075   0.00000   0.00013  -0.00046  -0.00033  -0.00108
   D202       3.13894   0.00003   0.00049   0.00010   0.00059   3.13953
   D203      -3.14043  -0.00002  -0.00009  -0.00111  -0.00121   3.14155
   D204      -0.00074   0.00000   0.00027  -0.00056  -0.00029  -0.00102
   D205       0.00019   0.00002   0.00021   0.00051   0.00073   0.00092
   D206      -3.13950  -0.00001  -0.00015  -0.00004  -0.00019  -3.13969
   D207      -3.14025   0.00000   0.00062  -0.00063  -0.00001  -3.14027
   D208       0.00324  -0.00003   0.00025  -0.00119  -0.00094   0.00231
   D209      -0.00056  -0.00002   0.00019  -0.00068  -0.00049  -0.00105
   D210       3.14116   0.00000   0.00012  -0.00011   0.00000   3.14117
   D211       3.14003  -0.00003   0.00002  -0.00073  -0.00071   3.13932
   D212      -0.00143  -0.00001  -0.00005  -0.00016  -0.00021  -0.00165
   D213      -0.00183   0.00002  -0.00011   0.00055   0.00044  -0.00139
   D214       3.13964   0.00001  -0.00004  -0.00002  -0.00006   3.13958
   D215       3.13975   0.00003   0.00000   0.00056   0.00056   3.14031
   D216      -0.00197   0.00001   0.00007  -0.00001   0.00006  -0.00191
   D217      -3.05055  -0.00002   0.00218  -0.00107   0.00111  -3.04944
   D218       0.07924   0.00001   0.00279  -0.00175   0.00104   0.08028
   D219      -0.00897   0.00003   0.00092  -0.00045   0.00048  -0.00850
   D220       3.12082   0.00007   0.00153  -0.00113   0.00041   3.12123
   D221       3.05367  -0.00002  -0.00109  -0.00008  -0.00117   3.05250
   D222      -0.08323  -0.00002  -0.00036  -0.00111  -0.00147  -0.08470
   D223       0.01487  -0.00002  -0.00009  -0.00022  -0.00031   0.01456
   D224      -3.12203  -0.00001   0.00064  -0.00124  -0.00060  -3.12263
   D225      -0.00347  -0.00003  -0.00103   0.00069  -0.00034  -0.00381
   D226       3.13879   0.00001  -0.00107   0.00174   0.00067   3.13946
   D227      -3.13334  -0.00006  -0.00165   0.00140  -0.00026  -3.13359
   D228       0.00892  -0.00002  -0.00169   0.00245   0.00075   0.00968
   D229      -2.95329   0.00002  -0.00166   0.01207   0.01041  -2.94287
   D230       1.23474   0.00002  -0.00074   0.01130   0.01056   1.24529
   D231      -0.85371   0.00013  -0.00170   0.01294   0.01124  -0.84247
   D232       0.17628   0.00005  -0.00103   0.01136   0.01033   0.18661
   D233      -1.91889   0.00005  -0.00011   0.01059   0.01048  -1.90841
   D234       2.27586   0.00016  -0.00107   0.01223   0.01116   2.28702
   D235      -0.00845  -0.00001  -0.00064   0.00064   0.00000  -0.00845
   D236       3.13808   0.00001  -0.00056   0.00110   0.00054   3.13862
   D237       3.12850  -0.00001  -0.00137   0.00165   0.00028   3.12878
   D238      -0.00815   0.00001  -0.00128   0.00210   0.00082  -0.00733
   D239       2.83965  -0.00004  -0.00014   0.00110   0.00096   2.84061
   D240       0.73563   0.00000   0.00007   0.00093   0.00100   0.73664
   D241      -1.34857  -0.00004  -0.00019   0.00127   0.00108  -1.34749
   D242      -0.29717  -0.00003   0.00060   0.00007   0.00066  -0.29651
   D243      -2.40119   0.00000   0.00081  -0.00010   0.00071  -2.40048
   D244       1.79780  -0.00003   0.00055   0.00024   0.00079   1.79858
   D245       0.00977   0.00000   0.00032  -0.00029   0.00003   0.00980
   D246      -3.13670   0.00004  -0.00014   0.00086   0.00072  -3.13597
   D247      -3.13249  -0.00004   0.00036  -0.00135  -0.00098  -3.13347
   D248       0.00422  -0.00001  -0.00010  -0.00019  -0.00029   0.00393
   D249      -0.00366   0.00001   0.00053  -0.00039   0.00014  -0.00352
   D250      -3.14037  -0.00002   0.00100  -0.00155  -0.00055  -3.14092
   D251       3.13297  -0.00001   0.00045  -0.00084  -0.00040   3.13257
   D252      -0.00374  -0.00004   0.00091  -0.00200  -0.00109  -0.00483
         Item               Value     Threshold  Converged?
 Maximum Force            0.002683     0.000450     NO 
 RMS     Force            0.000415     0.000300     NO 
 Maximum Displacement     0.670342     0.001800     NO 
 RMS     Displacement     0.117788     0.001200     NO 
 Predicted change in Energy=-5.241578D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.117577    0.011936   -1.559230
      2          8           0       -3.011617    0.114750   -2.545903
      3          8           0       -3.472810   -1.978105    1.418755
      4          8           0        1.840610    1.616775    2.313028
      5          8           0        3.473885   -1.334674    1.167241
      6          7           0       -3.003359   -2.640644   -0.765557
      7          7           0       -3.187343    0.403022   -0.271268
      8          7           0        2.092297    0.842910    0.161602
      9          7           0       -1.681682   -3.372084    1.126700
     10          6           0       -2.729391    1.773747   -0.231584
     11          6           0       -4.013105   -1.717111   -1.246995
     12          6           0       -1.377533    2.015310   -0.930300
     13          6           0       -0.285813    1.017918   -0.565320
     14          6           0       -4.708452   -2.153793   -2.554731
     15          6           0        1.096753    1.721267   -0.407891
     16          6           0       -2.660954    2.301991    1.215525
     17          6           0       -3.389030   -0.302567   -1.429703
     18          6           0       -1.977120   -3.064208   -1.695202
     19          6           0       -0.596246   -3.267990   -1.078218
     20          6           0        1.540151    2.277300   -1.773396
     21          6           0       -2.736794   -2.623487    0.621903
     22          6           0       -5.826338   -1.179914   -2.876537
     23          6           0       -5.275512   -3.553056   -2.433110
     24          6           0       -0.696953   -3.970059    0.273451
     25          6           0       -3.976531    2.241355    1.905099
     26          6           0        2.756779    3.125699   -1.679351
     27          6           0        2.344706    0.801314    1.511396
     28          6           0       -4.851532    3.332823    1.841624
     29          6           0       -4.348730    1.106095    2.635889
     30          6           0        2.714609    4.352048   -1.003996
     31          6           0        3.952375    2.719436   -2.282942
     32          6           0        3.342134   -0.219430    2.054414
     33          6           0       -6.079568    3.290382    2.499043
     34          6           0       -5.578132    1.067141    3.292603
     35          6           0       -6.444769    2.157634    3.226272
     36          6           0        3.850293    5.155878   -0.931809
     37          6           0        5.087086    3.526687   -2.212068
     38          6           0        5.038716    4.745161   -1.536231
     39          6           0        4.786268   -1.764601    0.982561
     40          6           0        5.314905   -1.707350   -0.319901
     41          6           0        5.506335   -2.348289    2.041935
     42          6           0        6.589540   -2.237936   -0.546613
     43          6           0        6.780517   -2.862024    1.779927
     44          6           0        4.539672   -1.114697   -1.432065
     45          6           0        4.935762   -2.427289    3.405467
     46          6           0        7.318201   -2.805110    0.495945
     47          1           0       -3.485929    2.405928   -0.795030
     48          1           0       -4.816533   -1.657535   -0.446658
     49          1           0       -1.547904    1.978367   -2.042276
     50          1           0       -1.049190    3.056528   -0.672240
     51          1           0       -0.541539    0.503732    0.406894
     52          1           0       -3.956865   -2.124924   -3.392991
     53          1           0        0.953425    2.583835    0.312287
     54          1           0       -3.494943    0.002172    0.592229
     55          1           0       -1.896548    1.719011    1.796766
     56          1           0       -2.307871    3.367439    1.168919
     57          1           0       -2.323378   -4.035259   -2.155927
     58          1           0       -1.887000   -2.300684   -2.525010
     59          1           0        0.020382   -3.894603   -1.771136
     60          1           0       -0.084209   -2.273846   -0.960895
     61          1           0        1.702846    1.424879   -2.487000
     62          1           0        0.690575    2.889233   -2.181844
     63          1           0       -6.589287   -1.168931   -2.060972
     64          1           0       -6.328321   -1.486045   -3.826395
     65          1           0       -5.422005   -0.146670   -3.008764
     66          1           0       -5.918910   -3.638255   -1.524089
     67          1           0       -4.462650   -4.314824   -2.363899
     68          1           0       -5.898095   -3.787069   -3.331149
     69          1           0        0.304736   -3.934103    0.789947
     70          1           0       -0.961145   -5.055952    0.107727
     71          1           0        2.384746    0.075255   -0.401546
     72          1           0       -1.560755   -3.385451    2.110044
     73          1           0       -0.976587   -0.142344   -1.976457
     74          1           0       -4.566132    4.229014    1.270581
     75          1           0       -3.673509    0.235766    2.695551
     76          1           0        1.778944    4.679019   -0.525950
     77          1           0        3.996963    1.758146   -2.817032
     78          1           0        2.936044   -0.616129    3.025303
     79          1           0        4.319242    0.298802    2.231648
     80          1           0       -6.760385    4.152526    2.444290
     81          1           0       -5.862002    0.170658    3.863922
     82          1           0       -7.413096    2.125220    3.746555
     83          1           0        3.808930    6.115618   -0.395875
     84          1           0        6.021931    3.200147   -2.690846
     85          1           0        5.934394    5.380481   -1.479038
     86          1           0        7.017644   -2.203341   -1.560079
     87          1           0        7.358401   -3.319312    2.597429
     88          1           0        5.016437   -1.334861   -2.419063
     89          1           0        4.479382   -0.002379   -1.311445
     90          1           0        3.499065   -1.526902   -1.440306
     91          1           0        5.485349   -3.174552    4.028922
     92          1           0        3.857495   -2.723911    3.359066
     93          1           0        5.003196   -1.429801    3.910207
     94          1           0        8.321570   -3.213644    0.303635
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0853641      0.0413461      0.0358511
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3246.0258261018 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.245682676553     A.U. after   14 cycles
             Convg  =    0.8370D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000917174    0.000399363   -0.001929088
      2        8          -0.002229476    0.000526898    0.001675669
      3        8           0.001779714    0.001475224    0.000303028
      4        8          -0.000129338    0.000433791    0.000039645
      5        8           0.000098255   -0.000487280    0.000338588
      6        7          -0.000489406    0.000023268    0.001084697
      7        7          -0.001841608   -0.001504824    0.002283154
      8        7          -0.000111595    0.000416653    0.000272483
      9        7          -0.000272949    0.001245750    0.000170152
     10        6           0.000463745   -0.000847520    0.000471001
     11        6          -0.001999228   -0.000028479    0.000504882
     12        6          -0.000913543    0.000117911   -0.000190079
     13        6           0.000702294   -0.000385203    0.000914306
     14        6           0.000406441    0.000021392   -0.000530849
     15        6          -0.000362307    0.000000312   -0.000280018
     16        6           0.000736373   -0.000965211   -0.000372708
     17        6           0.000959276    0.001434355   -0.001524557
     18        6           0.000607074   -0.000955400    0.001012416
     19        6           0.000069800   -0.000354057    0.000010085
     20        6          -0.000275581    0.000143249    0.000254612
     21        6           0.000973546    0.000707584   -0.001650708
     22        6           0.000021712   -0.000178635   -0.000356950
     23        6           0.000087841   -0.000055055   -0.000172173
     24        6           0.000511609   -0.000609809    0.000178295
     25        6          -0.000742596    0.000551158   -0.000500906
     26        6           0.000007594   -0.000281913    0.000119494
     27        6          -0.000256357   -0.001143391   -0.000410185
     28        6          -0.000184231    0.000036265    0.000001071
     29        6          -0.000141415    0.000175949   -0.000678490
     30        6          -0.000181881   -0.000054010   -0.000092452
     31        6           0.000182877   -0.000122681    0.000042211
     32        6           0.000456890    0.001131218   -0.000329070
     33        6          -0.000094533   -0.000068411    0.000005793
     34        6           0.000005730    0.000149386   -0.000059522
     35        6          -0.000060932    0.000091238   -0.000029245
     36        6          -0.000049574   -0.000014927   -0.000086461
     37        6           0.000067592    0.000000313    0.000104002
     38        6           0.000031839   -0.000062227   -0.000089204
     39        6           0.000772661    0.001036777   -0.000688983
     40        6           0.000517554   -0.000381064    0.000452623
     41        6          -0.000609303   -0.000421531    0.000328780
     42        6          -0.000115506    0.000020089   -0.000149080
     43        6           0.000083281   -0.000275069    0.000133413
     44        6          -0.000314875   -0.000243766    0.000437609
     45        6           0.000004489    0.000135698   -0.000208427
     46        6           0.000088340    0.000139500   -0.000149435
     47        1           0.000005678    0.000286906   -0.000263211
     48        1          -0.000312404    0.000118343    0.000421448
     49        1           0.000076278   -0.000015221   -0.000286738
     50        1           0.000231641    0.000416686    0.000182915
     51        1          -0.000043644   -0.000469526    0.000081053
     52        1           0.000013040   -0.000027423   -0.000401618
     53        1          -0.000170457    0.000106322    0.000245335
     54        1          -0.000604453   -0.000196569    0.000002011
     55        1          -0.000130519   -0.000227277    0.000083892
     56        1           0.000227100    0.000237697    0.000117049
     57        1           0.000031935    0.000077754   -0.000212746
     58        1           0.000124975    0.000220481   -0.000123349
     59        1          -0.000065850   -0.000084515   -0.000155415
     60        1           0.000072666    0.000159668    0.000287039
     61        1           0.000009053    0.000129635   -0.000261536
     62        1           0.000119383   -0.000138082   -0.000223863
     63        1           0.000022435   -0.000172887    0.000094547
     64        1           0.000007678   -0.000012820   -0.000198546
     65        1           0.000196122    0.000101880   -0.000005541
     66        1           0.000065355   -0.000089017    0.000107479
     67        1          -0.000149551    0.000067866   -0.000001558
     68        1           0.000099369    0.000043210   -0.000022587
     69        1          -0.000011990    0.000078982    0.000194184
     70        1          -0.000068627   -0.000028193   -0.000087799
     71        1          -0.000053083    0.000136776   -0.000012566
     72        1          -0.000051283   -0.000301435   -0.000462110
     73        1           0.001012396   -0.001470208    0.000298631
     74        1           0.000063651    0.000089468   -0.000017412
     75        1           0.000154510    0.000241354   -0.000191677
     76        1           0.000131296   -0.000018176    0.000022814
     77        1          -0.000029109    0.000007297   -0.000115791
     78        1          -0.000070569   -0.000374638    0.000035559
     79        1          -0.000000446   -0.000138987    0.000180600
     80        1           0.000102360   -0.000007085    0.000008950
     81        1          -0.000055061   -0.000076116    0.000071427
     82        1           0.000054552   -0.000100250    0.000044630
     83        1           0.000031311    0.000022353    0.000092018
     84        1          -0.000058359    0.000065301   -0.000043506
     85        1          -0.000043096    0.000084681    0.000067382
     86        1          -0.000046129    0.000104460   -0.000066157
     87        1          -0.000060957   -0.000023875    0.000056062
     88        1          -0.000059351    0.000183228   -0.000151690
     89        1          -0.000002511    0.000024387    0.000073104
     90        1          -0.000118890   -0.000123844   -0.000081305
     91        1          -0.000115694    0.000030083    0.000013496
     92        1           0.000167007   -0.000063758   -0.000079152
     93        1           0.000165343    0.000093753    0.000092150
     94        1          -0.000040563    0.000058457   -0.000067325
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002283154 RMS     0.000504956

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.004960334 RMS     0.000859816
 Search for a local minimum.
 Step number  19 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   17   18   19
 DE=  1.78D-04 DEPred=-5.24D-04 R=-3.40D-01
 Trust test=-3.40D-01 RLast= 3.45D-01 DXMaxT set to 4.30D-01
     Eigenvalues ---    0.00161   0.00221   0.00228   0.00231   0.00236
     Eigenvalues ---    0.00265   0.00285   0.00320   0.00379   0.00401
     Eigenvalues ---    0.00416   0.00439   0.00477   0.00487   0.00540
     Eigenvalues ---    0.00585   0.00683   0.00775   0.00997   0.01259
     Eigenvalues ---    0.01305   0.01346   0.01396   0.01411   0.01427
     Eigenvalues ---    0.01443   0.01446   0.01516   0.01570   0.01657
     Eigenvalues ---    0.01994   0.02012   0.02075   0.02082   0.02113
     Eigenvalues ---    0.02118   0.02141   0.02143   0.02149   0.02151
     Eigenvalues ---    0.02155   0.02161   0.02169   0.02172   0.02172
     Eigenvalues ---    0.02176   0.02176   0.02179   0.02180   0.02182
     Eigenvalues ---    0.02182   0.02186   0.02187   0.02188   0.02286
     Eigenvalues ---    0.02362   0.02583   0.02954   0.03077   0.03464
     Eigenvalues ---    0.03663   0.03738   0.03898   0.03953   0.03967
     Eigenvalues ---    0.04145   0.04314   0.04354   0.04482   0.04627
     Eigenvalues ---    0.04804   0.04817   0.04956   0.05029   0.05063
     Eigenvalues ---    0.05159   0.05380   0.05398   0.05421   0.05474
     Eigenvalues ---    0.05579   0.05622   0.05629   0.05659   0.05713
     Eigenvalues ---    0.05877   0.05943   0.06568   0.06755   0.07107
     Eigenvalues ---    0.07111   0.07196   0.07251   0.07370   0.07523
     Eigenvalues ---    0.07798   0.08052   0.08280   0.08637   0.09203
     Eigenvalues ---    0.09302   0.09379   0.09727   0.11020   0.11585
     Eigenvalues ---    0.12150   0.12489   0.12692   0.12859   0.14062
     Eigenvalues ---    0.15485   0.15715   0.15893   0.15919   0.15964
     Eigenvalues ---    0.15988   0.15995   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16003   0.16005   0.16009
     Eigenvalues ---    0.16019   0.16034   0.16138   0.16246   0.16501
     Eigenvalues ---    0.16685   0.17276   0.17298   0.18242   0.18758
     Eigenvalues ---    0.19287   0.19929   0.20445   0.20721   0.21687
     Eigenvalues ---    0.21829   0.21973   0.21995   0.22000   0.22000
     Eigenvalues ---    0.22009   0.22091   0.22428   0.22767   0.23132
     Eigenvalues ---    0.23402   0.23454   0.23486   0.23571   0.23660
     Eigenvalues ---    0.24583   0.24737   0.24889   0.24971   0.25002
     Eigenvalues ---    0.25012   0.25060   0.25138   0.25545   0.25817
     Eigenvalues ---    0.26613   0.26979   0.27123   0.27505   0.27517
     Eigenvalues ---    0.28088   0.28337   0.28485   0.28826   0.29428
     Eigenvalues ---    0.29789   0.30082   0.30434   0.30798   0.31358
     Eigenvalues ---    0.32194   0.32416   0.33113   0.33875   0.34394
     Eigenvalues ---    0.34447   0.34514   0.34557   0.34615   0.34638
     Eigenvalues ---    0.34659   0.34689   0.34701   0.34718   0.34733
     Eigenvalues ---    0.34735   0.34741   0.34747   0.34752   0.34761
     Eigenvalues ---    0.34773   0.34777   0.34790   0.34798   0.34806
     Eigenvalues ---    0.34814   0.34829   0.34833   0.34839   0.34850
     Eigenvalues ---    0.34873   0.34888   0.34920   0.35285   0.35733
     Eigenvalues ---    0.35882   0.35886   0.35920   0.35943   0.35967
     Eigenvalues ---    0.35979   0.35984   0.35993   0.36002   0.36025
     Eigenvalues ---    0.36032   0.36060   0.36096   0.36756   0.37928
     Eigenvalues ---    0.39535   0.39778   0.40944   0.42187   0.42244
     Eigenvalues ---    0.42333   0.42381   0.42484   0.43405   0.44888
     Eigenvalues ---    0.45631   0.45940   0.46012   0.46090   0.46135
     Eigenvalues ---    0.46154   0.46202   0.46337   0.46421   0.46715
     Eigenvalues ---    0.46763   0.46765   0.46929   0.47199   0.47749
     Eigenvalues ---    0.49078   0.50878   0.52959   0.55417   0.56363
     Eigenvalues ---    0.58107   0.65197   0.90103   0.90394   0.92308
     Eigenvalues ---    0.972521000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    19   18   17   16   15
 RFO step:  Lambda=-6.26930377D-04.
 DIIS coeffs:      0.31491      0.51419      0.02685     -0.02154      0.16558
 Iteration  1 RMS(Cart)=  0.14135824 RMS(Int)=  0.00170931
 Iteration  2 RMS(Cart)=  0.00510566 RMS(Int)=  0.00025265
 Iteration  3 RMS(Cart)=  0.00000706 RMS(Int)=  0.00025265
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00025265
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.69122  -0.00090   0.00005  -0.00156  -0.00151   2.68972
    R2        1.82804  -0.00122  -0.00063  -0.00003  -0.00066   1.82737
    R3        2.36216   0.00100  -0.00152   0.00089  -0.00064   2.36152
    R4        2.38526  -0.00061  -0.00073  -0.00107  -0.00180   2.38346
    R5        2.36156   0.00013  -0.00001  -0.00004  -0.00005   2.36151
    R6        2.70449   0.00040   0.00079  -0.00018   0.00062   2.70511
    R7        2.63296   0.00010   0.00003   0.00010   0.00013   2.63309
    R8        2.74127   0.00326  -0.00286   0.00240  -0.00047   2.74080
    R9        2.73640   0.00151  -0.00432   0.00552   0.00101   2.73740
   R10        2.67007   0.00323  -0.00322   0.00229  -0.00115   2.66891
   R11        2.73206   0.00191   0.00020   0.00040   0.00060   2.73266
   R12        2.59141   0.00008   0.00096  -0.00054   0.00042   2.59183
   R13        1.89060  -0.00034  -0.00080  -0.00113  -0.00193   1.88867
   R14        2.72994   0.00026   0.00025  -0.00124  -0.00099   2.72896
   R15        2.59614   0.00024  -0.00112   0.00058  -0.00054   2.59561
   R16        1.88211  -0.00004  -0.00067   0.00046  -0.00021   1.88190
   R17        2.62426   0.00006   0.00049   0.00019   0.00063   2.62489
   R18        2.70917   0.00068   0.00051  -0.00014   0.00055   2.70972
   R19        1.87242   0.00025  -0.00006   0.00047   0.00042   1.87284
   R20        2.91170   0.00161   0.00019  -0.00187  -0.00168   2.91002
   R21        2.91401   0.00150   0.00184  -0.00056   0.00128   2.91529
   R22        2.14588  -0.00009  -0.00050   0.00041  -0.00009   2.14579
   R23        2.91800  -0.00169  -0.00404   0.00399  -0.00005   2.91795
   R24        2.94202   0.00173  -0.00109   0.00014  -0.00095   2.94107
   R25        2.14597  -0.00002   0.00069  -0.00117  -0.00048   2.14549
   R26        2.87825   0.00221   0.00121   0.00005   0.00126   2.87951
   R27        2.12700  -0.00027  -0.00080   0.00021  -0.00059   2.12641
   R28        2.11998  -0.00046  -0.00066   0.00007  -0.00058   2.11940
   R29        2.94638  -0.00016  -0.00146   0.00184   0.00038   2.94676
   R30        2.13379  -0.00044  -0.00053  -0.00045  -0.00098   2.13281
   R31        2.86695  -0.00022  -0.00014   0.00029   0.00015   2.86711
   R32        2.86235  -0.00004   0.00134  -0.00264  -0.00130   2.86105
   R33        2.12827  -0.00018  -0.00058   0.00050  -0.00008   2.12819
   R34        2.90943   0.00011   0.00100  -0.00097   0.00003   2.90945
   R35        2.14067  -0.00016  -0.00001  -0.00043  -0.00044   2.14024
   R36        2.80924   0.00167   0.00118   0.00051   0.00169   2.81093
   R37        2.12292  -0.00016  -0.00005  -0.00043  -0.00048   2.12243
   R38        2.12291  -0.00033  -0.00045  -0.00006  -0.00051   2.12240
   R39        2.88393   0.00004   0.00107  -0.00087   0.00025   2.88417
   R40        2.13389  -0.00013  -0.00017   0.00018   0.00002   2.13391
   R41        2.13771  -0.00027  -0.00080   0.00034  -0.00045   2.13725
   R42        2.88457   0.00007   0.00038   0.00010   0.00070   2.88527
   R43        2.11532  -0.00012  -0.00004  -0.00031  -0.00035   2.11497
   R44        2.12480  -0.00031  -0.00096  -0.00007  -0.00103   2.12377
   R45        2.80852   0.00033   0.00041  -0.00016   0.00026   2.80878
   R46        2.12317  -0.00023  -0.00010  -0.00047  -0.00057   2.12260
   R47        2.12379  -0.00015  -0.00044   0.00017  -0.00027   2.12353
   R48        2.11054  -0.00019  -0.00019  -0.00014  -0.00033   2.11021
   R49        2.11103  -0.00019  -0.00013  -0.00025  -0.00038   2.11065
   R50        2.11156  -0.00015  -0.00031   0.00011  -0.00020   2.11136
   R51        2.11070  -0.00014   0.00006  -0.00035  -0.00030   2.11040
   R52        2.10925  -0.00015  -0.00039   0.00014  -0.00024   2.10900
   R53        2.11180  -0.00006  -0.00003  -0.00016  -0.00018   2.11162
   R54        2.13082  -0.00014   0.00025  -0.00073  -0.00048   2.13034
   R55        2.13499  -0.00010  -0.00017   0.00011  -0.00007   2.13493
   R56        2.64626   0.00017  -0.00011   0.00014   0.00003   2.64630
   R57        2.64656   0.00046   0.00016  -0.00008   0.00008   2.64664
   R58        2.64684   0.00008   0.00012  -0.00017  -0.00004   2.64680
   R59        2.64482   0.00010   0.00003   0.00003   0.00006   2.64488
   R60        2.88556   0.00083   0.00094   0.00057   0.00152   2.88708
   R61        2.63349  -0.00009  -0.00005   0.00004  -0.00002   2.63347
   R62        2.07930  -0.00011  -0.00020   0.00004  -0.00016   2.07914
   R63        2.63494   0.00009   0.00001  -0.00008  -0.00007   2.63488
   R64        2.08467   0.00010  -0.00082   0.00003  -0.00079   2.08387
   R65        2.63285  -0.00003   0.00001  -0.00006  -0.00005   2.63280
   R66        2.07948  -0.00011  -0.00014  -0.00008  -0.00022   2.07926
   R67        2.63496  -0.00008  -0.00001  -0.00013  -0.00014   2.63482
   R68        2.07983  -0.00011  -0.00016  -0.00007  -0.00023   2.07960
   R69        2.12534  -0.00035  -0.00073  -0.00008  -0.00081   2.12453
   R70        2.11676   0.00002   0.00020  -0.00013   0.00007   2.11683
   R71        2.63571  -0.00009   0.00008  -0.00015  -0.00007   2.63564
   R72        2.07853  -0.00010  -0.00012  -0.00002  -0.00014   2.07839
   R73        2.63523  -0.00006  -0.00004   0.00003  -0.00001   2.63522
   R74        2.07927  -0.00009  -0.00018   0.00002  -0.00016   2.07912
   R75        2.07818  -0.00012  -0.00011  -0.00008  -0.00020   2.07799
   R76        2.63640   0.00000   0.00004  -0.00007  -0.00004   2.63636
   R77        2.07873  -0.00010  -0.00012  -0.00008  -0.00020   2.07853
   R78        2.63464   0.00004   0.00005  -0.00001   0.00004   2.63468
   R79        2.07852  -0.00010  -0.00012  -0.00008  -0.00020   2.07832
   R80        2.07796  -0.00011  -0.00010  -0.00012  -0.00022   2.07774
   R81        2.65851   0.00072   0.00043   0.00112   0.00155   2.66005
   R82        2.66006  -0.00035  -0.00061  -0.00018  -0.00079   2.65927
   R83        2.64400  -0.00023  -0.00068   0.00021  -0.00048   2.64353
   R84        2.79599   0.00059   0.00073  -0.00016   0.00057   2.79656
   R85        2.64299   0.00009   0.00042  -0.00006   0.00037   2.64336
   R86        2.79719   0.00027   0.00052  -0.00017   0.00035   2.79754
   R87        2.63179  -0.00005   0.00045  -0.00036   0.00010   2.63188
   R88        2.08006  -0.00012  -0.00006  -0.00024  -0.00030   2.07976
   R89        2.63273  -0.00036  -0.00074   0.00026  -0.00049   2.63224
   R90        2.07988  -0.00008  -0.00014   0.00000  -0.00014   2.07974
   R91        2.11273  -0.00024  -0.00032  -0.00022  -0.00054   2.11219
   R92        2.11737  -0.00006  -0.00015  -0.00008  -0.00023   2.11714
   R93        2.11518  -0.00008  -0.00023   0.00014  -0.00009   2.11508
   R94        2.11206  -0.00010  -0.00016   0.00000  -0.00016   2.11190
   R95        2.11514  -0.00016  -0.00021  -0.00007  -0.00028   2.11486
   R96        2.11640  -0.00017  -0.00029  -0.00005  -0.00033   2.11607
   R97        2.07924  -0.00008  -0.00014  -0.00001  -0.00015   2.07909
    A1        1.88469   0.00195  -0.00344   0.00160  -0.00184   1.88286
    A2        1.99252   0.00026  -0.00084   0.00099   0.00015   1.99267
    A3        2.05610  -0.00321   0.00751  -0.00333   0.00761   2.06371
    A4        2.03699   0.00450   0.01166  -0.00520   0.00975   2.04674
    A5        2.09471  -0.00107   0.00932  -0.00589   0.00600   2.10071
    A6        2.16230   0.00141  -0.00706   0.00558  -0.00144   2.16086
    A7        2.04157  -0.00068   0.00330  -0.00202   0.00133   2.04290
    A8        2.06887  -0.00089   0.00215  -0.00246  -0.00027   2.06861
    A9        2.13216   0.00029   0.00396  -0.00212   0.00218   2.13434
   A10        2.03542  -0.00016   0.00146  -0.00016   0.00165   2.03707
   A11        2.06946  -0.00011   0.00254  -0.00076   0.00213   2.07159
   A12        2.12985   0.00036   0.00357  -0.00229   0.00207   2.13192
   A13        2.04964  -0.00028   0.00028  -0.00134  -0.00036   2.04928
   A14        2.09579  -0.00011  -0.00048   0.00013   0.00039   2.09617
   A15        1.99776   0.00370  -0.00266  -0.00020  -0.00287   1.99489
   A16        1.94401   0.00164   0.00489   0.00064   0.00554   1.94954
   A17        1.87882  -0.00207  -0.00179   0.00006  -0.00173   1.87709
   A18        1.91019  -0.00496  -0.00225   0.00124  -0.00100   1.90919
   A19        1.84652   0.00102   0.00085   0.00071   0.00156   1.84808
   A20        1.88021   0.00057   0.00095  -0.00269  -0.00173   1.87848
   A21        1.99817  -0.00164   0.00037   0.00036   0.00074   1.99891
   A22        1.91599   0.00347  -0.00468   0.00385  -0.00082   1.91517
   A23        1.86708   0.00030   0.00746  -0.00563   0.00186   1.86894
   A24        1.91566  -0.00317  -0.00181  -0.00181  -0.00363   1.91203
   A25        1.86828   0.00040  -0.00049   0.00011  -0.00035   1.86793
   A26        1.89510   0.00079  -0.00057   0.00312   0.00253   1.89763
   A27        2.00154   0.00257  -0.00028  -0.00193  -0.00220   1.99934
   A28        1.88605  -0.00010   0.00024   0.00223   0.00249   1.88854
   A29        1.87338  -0.00146   0.00014  -0.00260  -0.00247   1.87091
   A30        1.90047   0.00039   0.00138   0.00051   0.00191   1.90238
   A31        1.92077  -0.00189  -0.00190   0.00130  -0.00062   1.92015
   A32        1.87761   0.00040   0.00045   0.00063   0.00108   1.87869
   A33        1.96060   0.00350  -0.00352   0.00374   0.00022   1.96082
   A34        1.85915  -0.00200  -0.00125   0.00129   0.00004   1.85918
   A35        1.88178  -0.00031   0.00419  -0.00346   0.00075   1.88252
   A36        1.94377  -0.00125   0.00197  -0.00146   0.00051   1.94428
   A37        1.92004  -0.00058  -0.00157  -0.00015  -0.00171   1.91833
   A38        1.89580   0.00058   0.00036  -0.00010   0.00027   1.89606
   A39        1.90701  -0.00065  -0.00003  -0.00056  -0.00059   1.90642
   A40        1.94103   0.00020  -0.00037   0.00050   0.00013   1.94116
   A41        1.89926  -0.00001  -0.00059  -0.00134  -0.00193   1.89733
   A42        1.91153   0.00046   0.00040   0.00119   0.00159   1.91312
   A43        1.89378   0.00005  -0.00040   0.00082   0.00042   1.89420
   A44        1.91058  -0.00006   0.00099  -0.00061   0.00038   1.91096
   A45        1.95693  -0.00026  -0.00216   0.00038  -0.00178   1.95514
   A46        1.95062  -0.00001   0.00107  -0.00027   0.00080   1.95142
   A47        1.87501   0.00016   0.00118   0.00048   0.00166   1.87667
   A48        1.90577   0.00017   0.00063  -0.00065  -0.00003   1.90574
   A49        1.87077   0.00001  -0.00047   0.00027  -0.00020   1.87057
   A50        1.90213  -0.00007  -0.00027  -0.00017  -0.00044   1.90168
   A51        1.96282   0.00213   0.00194  -0.00060   0.00134   1.96416
   A52        1.91556  -0.00040  -0.00027   0.00436   0.00409   1.91965
   A53        1.87539  -0.00089  -0.00012  -0.00299  -0.00311   1.87229
   A54        1.91878  -0.00025   0.00227  -0.00128   0.00098   1.91976
   A55        1.91354  -0.00090  -0.00254   0.00046  -0.00209   1.91145
   A56        1.87526   0.00021  -0.00153   0.00006  -0.00146   1.87379
   A57        2.13904  -0.00068  -0.00164   0.00224   0.00056   2.13961
   A58        2.12841  -0.00397   0.00084  -0.00245  -0.00166   2.12675
   A59        2.01232   0.00479   0.00104   0.00132   0.00231   2.01464
   A60        2.00509   0.00077  -0.00339  -0.00020  -0.00396   2.00113
   A61        1.87147  -0.00012   0.00665  -0.00398   0.00284   1.87431
   A62        1.90707  -0.00043  -0.00422   0.00233  -0.00185   1.90522
   A63        1.90454  -0.00037  -0.00156   0.00082  -0.00076   1.90378
   A64        1.89084  -0.00004   0.00348  -0.00029   0.00342   1.89426
   A65        1.88132   0.00016  -0.00088   0.00144   0.00049   1.88181
   A66        1.93876  -0.00022   0.00023  -0.00219  -0.00206   1.93669
   A67        1.89962   0.00011   0.00017  -0.00003   0.00015   1.89977
   A68        1.91365   0.00003   0.00140   0.00057   0.00202   1.91567
   A69        1.90394  -0.00011   0.00070  -0.00020   0.00046   1.90440
   A70        1.92229   0.00031  -0.00157   0.00136  -0.00012   1.92218
   A71        1.88459  -0.00010  -0.00095   0.00056  -0.00041   1.88418
   A72        1.96687   0.00039   0.00023   0.00093   0.00116   1.96803
   A73        1.90818  -0.00031  -0.00014  -0.00158  -0.00171   1.90647
   A74        1.87682   0.00002   0.00071  -0.00012   0.00059   1.87742
   A75        1.93345  -0.00005  -0.00046  -0.00031  -0.00077   1.93267
   A76        1.90816  -0.00021   0.00008  -0.00082  -0.00074   1.90742
   A77        1.86684   0.00015  -0.00042   0.00197   0.00155   1.86839
   A78        2.11311   0.00194  -0.00005  -0.00104  -0.00075   2.11236
   A79        2.08195  -0.00168   0.00047   0.00054   0.00133   2.08328
   A80        2.08719  -0.00028   0.00008  -0.00041  -0.00046   2.08673
   A81        1.93347   0.00007  -0.00003   0.00033   0.00029   1.93376
   A82        1.91299   0.00015   0.00018   0.00056   0.00074   1.91373
   A83        1.93056  -0.00026  -0.00048  -0.00010  -0.00058   1.92998
   A84        1.89297  -0.00006   0.00041  -0.00066  -0.00025   1.89272
   A85        1.90129   0.00004  -0.00004  -0.00011  -0.00015   1.90114
   A86        1.89166   0.00006  -0.00002  -0.00004  -0.00006   1.89160
   A87        1.92994   0.00005   0.00019  -0.00012   0.00007   1.93001
   A88        1.94208   0.00005   0.00114  -0.00152  -0.00038   1.94170
   A89        1.91505   0.00010   0.00042  -0.00021   0.00021   1.91525
   A90        1.89334  -0.00007  -0.00053   0.00062   0.00009   1.89343
   A91        1.89349  -0.00006  -0.00036   0.00048   0.00013   1.89362
   A92        1.88877  -0.00009  -0.00093   0.00082  -0.00010   1.88866
   A93        1.96113   0.00044   0.00124  -0.00082   0.00086   1.96198
   A94        1.90103  -0.00004  -0.00128   0.00086  -0.00058   1.90045
   A95        1.90454  -0.00020   0.00152  -0.00097   0.00045   1.90499
   A96        1.90957  -0.00005  -0.00081   0.00128   0.00045   1.91002
   A97        1.90456  -0.00019  -0.00019  -0.00034  -0.00076   1.90381
   A98        1.88134   0.00002  -0.00055   0.00002  -0.00048   1.88086
   A99        2.09457  -0.00077   0.00022  -0.00067  -0.00044   2.09413
   A100       2.10633   0.00113  -0.00039   0.00120   0.00081   2.10714
   A101       2.08220  -0.00037   0.00015  -0.00056  -0.00042   2.08179
   A102       2.10096  -0.00003  -0.00016  -0.00017  -0.00033   2.10063
   A103       2.10170   0.00007   0.00016   0.00008   0.00024   2.10194
   A104       2.08038  -0.00003   0.00000   0.00012   0.00012   2.08050
   A105       2.13694  -0.00016   0.00025  -0.00073  -0.00046   2.13648
   A106       2.06187  -0.00011  -0.00012   0.00066   0.00056   2.06243
   A107       2.08248   0.00028   0.00047  -0.00004   0.00045   2.08294
   A108       2.10076   0.00024  -0.00022   0.00040   0.00018   2.10094
   A109       2.09011  -0.00013  -0.00028   0.00011  -0.00017   2.08994
   A110       2.09232  -0.00012   0.00050  -0.00051  -0.00001   2.09231
   A111       2.09755   0.00005   0.00010   0.00026   0.00036   2.09791
   A112       2.10027   0.00025  -0.00124   0.00138   0.00014   2.10041
   A113       2.08536  -0.00030   0.00113  -0.00163  -0.00051   2.08485
   A114       2.10086   0.00001  -0.00001  -0.00005  -0.00006   2.10080
   A115       2.08889  -0.00002  -0.00004  -0.00011  -0.00014   2.08875
   A116       2.09342   0.00002   0.00004   0.00016   0.00020   2.09363
   A117       2.10042   0.00001   0.00003  -0.00010  -0.00007   2.10035
   A118       2.09142  -0.00002   0.00005  -0.00017  -0.00012   2.09130
   A119       2.09135   0.00001  -0.00008   0.00027   0.00018   2.09153
   A120       1.93971   0.00053   0.00167  -0.00216  -0.00049   1.93922
   A121       1.86869  -0.00004   0.00031   0.00227   0.00257   1.87127
   A122       1.95876  -0.00027  -0.00150  -0.00048  -0.00198   1.95678
   A123       1.88275  -0.00009  -0.00075   0.00186   0.00111   1.88386
   A124       1.89314  -0.00018  -0.00037  -0.00107  -0.00143   1.89171
   A125       1.91938   0.00006   0.00068  -0.00029   0.00039   1.91976
   A126       2.09606   0.00003   0.00006  -0.00002   0.00004   2.09610
   A127       2.09219  -0.00002   0.00001  -0.00004  -0.00003   2.09216
   A128       2.09494   0.00000  -0.00007   0.00006  -0.00001   2.09493
   A129       2.09867   0.00008  -0.00032   0.00017  -0.00014   2.09853
   A130       2.08838  -0.00005   0.00031  -0.00004   0.00027   2.08865
   A131       2.09613  -0.00002   0.00001  -0.00013  -0.00012   2.09601
   A132       2.09113  -0.00002   0.00022  -0.00025  -0.00003   2.09110
   A133       2.09574   0.00001  -0.00009   0.00016   0.00007   2.09581
   A134       2.09631   0.00001  -0.00013   0.00009  -0.00004   2.09627
   A135       2.09679  -0.00001  -0.00004  -0.00001  -0.00005   2.09674
   A136       2.09205   0.00000   0.00003  -0.00004  -0.00001   2.09204
   A137       2.09435   0.00001   0.00002   0.00004   0.00006   2.09441
   A138       2.09714   0.00000  -0.00005   0.00001  -0.00004   2.09710
   A139       2.09170   0.00000   0.00004  -0.00002   0.00003   2.09172
   A140       2.09435   0.00000   0.00001   0.00001   0.00002   2.09436
   A141       2.09077   0.00003   0.00008   0.00003   0.00011   2.09088
   A142       2.09582  -0.00001  -0.00003   0.00000  -0.00003   2.09579
   A143       2.09659  -0.00002  -0.00005  -0.00003  -0.00008   2.09652
   A144       2.05342  -0.00038   0.00168  -0.00333  -0.00165   2.05176
   A145       2.10601   0.00051  -0.00099   0.00307   0.00207   2.10809
   A146       2.11930  -0.00013  -0.00061   0.00033  -0.00028   2.11903
   A147       2.06793  -0.00007   0.00008   0.00007   0.00015   2.06808
   A148       2.11219   0.00010   0.00046  -0.00109  -0.00063   2.11156
   A149       2.10300  -0.00003  -0.00054   0.00104   0.00050   2.10350
   A150       2.06844   0.00000   0.00062  -0.00074  -0.00012   2.06832
   A151       2.11556   0.00037   0.00046   0.00034   0.00079   2.11635
   A152       2.09918  -0.00037  -0.00108   0.00040  -0.00068   2.09850
   A153       2.10573   0.00006   0.00039  -0.00053  -0.00014   2.10559
   A154       2.08471  -0.00008   0.00040  -0.00057  -0.00017   2.08454
   A155       2.09274   0.00002  -0.00079   0.00110   0.00031   2.09305
   A156       2.10511   0.00014  -0.00016   0.00055   0.00039   2.10549
   A157       2.08496  -0.00005  -0.00042   0.00038  -0.00004   2.08492
   A158       2.09310  -0.00009   0.00058  -0.00093  -0.00035   2.09275
   A159       1.94044   0.00001   0.00032  -0.00030   0.00001   1.94045
   A160       1.92295   0.00003  -0.00027  -0.00012  -0.00038   1.92257
   A161       1.92318   0.00016   0.00028   0.00011   0.00039   1.92358
   A162       1.88965  -0.00002   0.00005   0.00037   0.00042   1.89007
   A163       1.89382  -0.00005  -0.00042   0.00110   0.00068   1.89450
   A164       1.89269  -0.00014   0.00002  -0.00117  -0.00115   1.89154
   A165       1.93906   0.00001   0.00001  -0.00031  -0.00030   1.93876
   A166       1.92548   0.00009   0.00024   0.00009   0.00033   1.92582
   A167       1.92241   0.00010  -0.00016   0.00052   0.00036   1.92276
   A168       1.89616  -0.00011  -0.00033  -0.00029  -0.00061   1.89555
   A169       1.89071  -0.00008  -0.00005  -0.00022  -0.00027   1.89043
   A170       1.88885  -0.00001   0.00030   0.00020   0.00049   1.88935
   A171       2.09975  -0.00001  -0.00033   0.00033   0.00000   2.09975
   A172       2.09150   0.00006  -0.00033   0.00066   0.00033   2.09183
   A173       2.09192  -0.00006   0.00066  -0.00098  -0.00032   2.09160
    D1       -0.54410  -0.00020  -0.08283   0.04557  -0.03728  -0.58138
    D2       -2.67675   0.00056  -0.08231   0.04423  -0.03807  -2.71482
    D3        1.57427   0.00105  -0.08417   0.04539  -0.03877   1.53550
    D4        2.39874  -0.00005   0.00632   0.00127   0.00759   2.40632
    D5       -1.83236   0.00010   0.00651   0.00368   0.01020  -1.82216
    D6        0.27533  -0.00001   0.00664   0.00453   0.01118   0.28650
    D7       -2.06990  -0.00011   0.01164  -0.01320  -0.00157  -2.07147
    D8        1.17153  -0.00016   0.01082  -0.01397  -0.00316   1.16837
    D9        0.89959   0.00015  -0.02366   0.01656  -0.00683   0.89276
   D10       -1.26384   0.00283  -0.01782   0.01565  -0.00192  -1.26576
   D11        2.96625  -0.00013  -0.01884   0.01307  -0.00555   2.96070
   D12       -2.69644   0.00036   0.06840  -0.01717   0.05100  -2.64543
   D13        1.42332   0.00304   0.07423  -0.01808   0.05591   1.47924
   D14       -0.62977   0.00008   0.07322  -0.02066   0.05228  -0.57749
   D15        2.52089   0.00107   0.05115  -0.02320   0.02801   2.54891
   D16       -1.64243   0.00101   0.05180  -0.02520   0.02656  -1.61587
   D17        0.39208   0.00091   0.05214  -0.02446   0.02772   0.41980
   D18       -0.15074  -0.00061  -0.04440   0.01146  -0.03269  -0.18343
   D19        1.96912  -0.00067  -0.04375   0.00947  -0.03415   1.93498
   D20       -2.27955  -0.00077  -0.04342   0.01020  -0.03298  -2.31253
   D21        0.17150   0.00139  -0.05385   0.02953  -0.02415   0.14736
   D22       -3.01690   0.00068  -0.02817   0.00678  -0.02100  -3.03790
   D23        2.84810   0.00107   0.04002  -0.00428   0.03544   2.88355
   D24       -0.34030   0.00036   0.06570  -0.02703   0.03859  -0.30171
   D25       -1.00622  -0.00382  -0.06805   0.01821  -0.04983  -1.05604
   D26        3.09853  -0.00140  -0.06693   0.01616  -0.05076   3.04777
   D27        1.04101  -0.00175  -0.06976   0.01902  -0.05074   0.99027
   D28        2.29282  -0.00254  -0.05723   0.01022  -0.04701   2.24581
   D29        0.11438  -0.00012  -0.05611   0.00817  -0.04794   0.06644
   D30       -1.94314  -0.00047  -0.05894   0.01103  -0.04792  -1.99106
   D31        0.18479  -0.00144  -0.00437  -0.01201  -0.01639   0.16840
   D32       -3.04394   0.00016  -0.00117   0.00198   0.00083  -3.04311
   D33       -3.11655  -0.00271  -0.01525  -0.00385  -0.01911  -3.13566
   D34       -0.06208  -0.00111  -0.01205   0.01014  -0.00190  -0.06398
   D35       -1.63202  -0.00012  -0.03687  -0.00509  -0.04194  -1.67396
   D36        2.50470  -0.00014  -0.03688  -0.00431  -0.04118   2.46352
   D37        0.41899  -0.00015  -0.03793  -0.00425  -0.04217   0.37683
   D38        1.18301  -0.00005  -0.00468  -0.01566  -0.02035   1.16266
   D39       -0.96346  -0.00008  -0.00469  -0.01489  -0.01958  -0.98305
   D40       -3.04917  -0.00009  -0.00574  -0.01482  -0.02057  -3.06974
   D41       -0.14061   0.00018   0.02574  -0.00812   0.01759  -0.12302
   D42        3.06825  -0.00008   0.01329  -0.00628   0.00698   3.07523
   D43       -2.94955   0.00012  -0.00691   0.00255  -0.00433  -2.95388
   D44        0.25931  -0.00014  -0.01936   0.00439  -0.01494   0.24438
   D45       -2.98259  -0.00033  -0.02474   0.00285  -0.02192  -3.00451
   D46        0.20497   0.00026  -0.05002   0.02524  -0.02496   0.18001
   D47        0.02416  -0.00059   0.02418  -0.02680  -0.00273   0.02143
   D48       -3.07146   0.00001  -0.00110  -0.00441  -0.00577  -3.07723
   D49        0.40199  -0.00030   0.01432  -0.00725   0.00687   0.40886
   D50        2.52073  -0.00010   0.01322  -0.00558   0.00760   2.52832
   D51       -1.71283  -0.00021   0.01268  -0.00561   0.00695  -1.70588
   D52       -2.60128  -0.00003  -0.03588   0.02328  -0.01278  -2.61406
   D53       -0.48254   0.00017  -0.03699   0.02496  -0.01205  -0.49460
   D54        1.56708   0.00006  -0.03752   0.02492  -0.01270   1.55438
   D55       -0.82677  -0.00247  -0.02276  -0.02866  -0.05142  -0.87818
   D56        1.29629  -0.00033  -0.02096  -0.02764  -0.04859   1.24770
   D57       -2.96651  -0.00066  -0.02023  -0.02711  -0.04734  -3.01385
   D58        1.36943  -0.00149  -0.02008  -0.02694  -0.04702   1.32241
   D59       -2.79070   0.00065  -0.01828  -0.02591  -0.04419  -2.83489
   D60       -0.77031   0.00032  -0.01755  -0.02539  -0.04294  -0.81325
   D61       -2.89238  -0.00269  -0.01960  -0.02910  -0.04870  -2.94108
   D62       -0.76932  -0.00055  -0.01780  -0.02807  -0.04587  -0.81520
   D63        1.25107  -0.00089  -0.01707  -0.02755  -0.04463   1.20644
   D64       -1.02654   0.00053  -0.01230  -0.00108  -0.01338  -1.03992
   D65        1.11532   0.00140  -0.00822   0.00000  -0.00821   1.10711
   D66       -3.13390   0.00093  -0.01024   0.00071  -0.00952   3.13976
   D67        3.02995  -0.00174  -0.01074  -0.00225  -0.01300   3.01696
   D68       -1.11137  -0.00088  -0.00666  -0.00117  -0.00782  -1.11919
   D69        0.92260  -0.00134  -0.00868  -0.00046  -0.00914   0.91346
   D70        1.03015  -0.00071  -0.01110  -0.00229  -0.01339   1.01675
   D71       -3.11118   0.00016  -0.00702  -0.00120  -0.00822  -3.11940
   D72       -1.07721  -0.00030  -0.00904  -0.00049  -0.00954  -1.08675
   D73        3.04670  -0.00016   0.03016  -0.02743   0.00274   3.04944
   D74        0.93446  -0.00043   0.02992  -0.02886   0.00107   0.93553
   D75       -1.17150  -0.00047   0.02931  -0.02754   0.00178  -1.16972
   D76       -1.07288   0.00071   0.02283  -0.02349  -0.00067  -1.07355
   D77        3.09806   0.00043   0.02259  -0.02493  -0.00234   3.09572
   D78        0.99210   0.00039   0.02198  -0.02361  -0.00163   0.99048
   D79        0.98072   0.00018   0.02090  -0.02069   0.00021   0.98093
   D80       -1.13153  -0.00010   0.02066  -0.02212  -0.00146  -1.13298
   D81        3.04571  -0.00014   0.02005  -0.02080  -0.00075   3.04496
   D82        1.72126  -0.00133   0.00877   0.00378   0.01256   1.73382
   D83       -1.33379  -0.00309   0.00572  -0.01037  -0.00463  -1.33842
   D84       -0.48954   0.00057   0.01293   0.00187   0.01479  -0.47475
   D85        2.73860  -0.00120   0.00988  -0.01229  -0.00240   2.73620
   D86       -2.52636   0.00141   0.01485   0.00096   0.01579  -2.51057
   D87        0.70178  -0.00036   0.01180  -0.01320  -0.00141   0.70037
   D88        1.75109   0.00249   0.01434  -0.01197   0.00236   1.75345
   D89       -2.44821   0.00145   0.01171  -0.00879   0.00291  -2.44529
   D90       -0.34524   0.00098   0.01239  -0.00996   0.00244  -0.34280
   D91       -0.36407   0.00059   0.01315  -0.01393  -0.00078  -0.36486
   D92        1.71982  -0.00045   0.01051  -0.01075  -0.00023   1.71959
   D93       -2.46040  -0.00092   0.01120  -0.01192  -0.00071  -2.46110
   D94       -2.41816   0.00096   0.01289  -0.01575  -0.00287  -2.42103
   D95       -0.33427  -0.00007   0.01025  -0.01257  -0.00231  -0.33659
   D96        1.76870  -0.00055   0.01094  -0.01374  -0.00279   1.76591
   D97       -1.17444   0.00113  -0.00580  -0.00311  -0.00891  -1.18335
   D98        0.99714   0.00107  -0.00548  -0.00367  -0.00915   0.98799
   D99        3.05521   0.00108  -0.00573  -0.00407  -0.00980   3.04541
   D100       2.96550  -0.00111  -0.00183  -0.00769  -0.00952   2.95599
   D101      -1.14610  -0.00118  -0.00151  -0.00825  -0.00976  -1.15586
   D102       0.91196  -0.00117  -0.00176  -0.00865  -0.01041   0.90155
   D103       0.84834   0.00002  -0.00137  -0.00652  -0.00789   0.84045
   D104       3.01992  -0.00005  -0.00105  -0.00708  -0.00813   3.01179
   D105      -1.20521  -0.00004  -0.00130  -0.00748  -0.00878  -1.21398
   D106      -1.06109  -0.00013  -0.00200   0.00538   0.00338  -1.05771
   D107       3.13385  -0.00019  -0.00260   0.00563   0.00303   3.13688
   D108       1.04904  -0.00020  -0.00240   0.00540   0.00300   1.05203
   D109       1.06901   0.00000  -0.00223   0.00639   0.00416   1.07317
   D110      -1.01925  -0.00007  -0.00283   0.00664   0.00381  -1.01543
   D111      -3.10406  -0.00007  -0.00262   0.00641   0.00378  -3.10028
   D112      -3.12949   0.00023  -0.00104   0.00684   0.00580  -3.12369
   D113       1.06544   0.00016  -0.00164   0.00709   0.00545   1.07089
   D114      -1.01937   0.00015  -0.00143   0.00685   0.00542  -1.01395
   D115       0.91029  -0.00017   0.00459   0.00253   0.00712   0.91741
   D116      -1.19512  -0.00015   0.00437   0.00285   0.00722  -1.18790
   D117       2.99828  -0.00014   0.00453   0.00293   0.00746   3.00574
   D118      -1.19930   0.00021   0.00461   0.00213   0.00673  -1.19257
   D119       2.97847   0.00023   0.00439   0.00244   0.00683   2.98530
   D120       0.88869   0.00024   0.00455   0.00252   0.00707   0.89576
   D121       3.00956  -0.00009   0.00426   0.00078   0.00505   3.01461
   D122       0.90415  -0.00007   0.00405   0.00109   0.00514   0.90929
   D123      -1.18563  -0.00006   0.00420   0.00118   0.00538  -1.18025
   D124      -1.10474  -0.00007  -0.00710   0.02849   0.02138  -1.08335
   D125       1.05344  -0.00009  -0.00764   0.02758   0.01994   1.07338
   D126       3.07435  -0.00006  -0.00782   0.02901   0.02120   3.09555
   D127       3.00317   0.00015  -0.00553   0.02866   0.02314   3.02631
   D128      -1.12183   0.00013  -0.00606   0.02775   0.02169  -1.10014
   D129       0.89908   0.00016  -0.00624   0.02919   0.02295   0.92202
   D130       0.96491   0.00008  -0.00516   0.02880   0.02364   0.98855
   D131       3.12309   0.00006  -0.00570   0.02789   0.02219  -3.13790
   D132      -1.13919   0.00009  -0.00588   0.02933   0.02345  -1.11574
   D133      -1.57785   0.00062   0.02479   0.03494   0.05973  -1.51812
   D134       1.57739   0.00079   0.02553   0.03778   0.06330   1.64069
   D135       2.56528  -0.00017   0.02213   0.03068   0.05281   2.61809
   D136      -0.56266   0.00000   0.02287   0.03351   0.05638  -0.50628
   D137       0.50744   0.00027   0.02416   0.03110   0.05526   0.56270
   D138      -2.62051   0.00044   0.02490   0.03394   0.05884  -2.56167
   D139       0.72765   0.00035   0.00946   0.00481   0.01439   0.74204
   D140       2.82420   0.00014   0.01058   0.00319   0.01378   2.83798
   D141      -1.40106   0.00010   0.01033   0.00417   0.01453  -1.38653
   D142      -1.37409   0.00026   0.00432   0.00948   0.01394  -1.36015
   D143       0.72245   0.00005   0.00544   0.00785   0.01333   0.73579
   D144       2.78038   0.00001   0.00520   0.00883   0.01409   2.79447
   D145       2.86524   0.00029   0.00429   0.00748   0.01186   2.87710
   D146      -1.32140   0.00008   0.00541   0.00585   0.01125  -1.31015
   D147       0.73653   0.00004   0.00517   0.00683   0.01200   0.74853
   D148      -0.84386   0.00004   0.00544  -0.00759  -0.00219  -0.84605
   D149      -2.95770  -0.00016   0.00681  -0.00902  -0.00233  -2.96004
   D150       1.27095  -0.00005   0.00805  -0.00958  -0.00158   1.26937
   D151      -2.93784   0.00012   0.00463  -0.00606  -0.00139  -2.93923
   D152       1.23150  -0.00009   0.00600  -0.00749  -0.00153   1.22997
   D153      -0.82303   0.00002   0.00724  -0.00805  -0.00078  -0.82380
   D154       1.27981   0.00014   0.00629  -0.00741  -0.00109   1.27871
   D155      -0.83404  -0.00007   0.00767  -0.00885  -0.00124  -0.83527
   D156      -2.88857   0.00004   0.00891  -0.00941  -0.00048  -2.88905
   D157      -1.16363  -0.00014  -0.00487  -0.01045  -0.01532  -1.17895
   D158       1.99623  -0.00015  -0.00439  -0.01251  -0.01690   1.97933
   D159       2.97544   0.00002  -0.00452  -0.00884  -0.01336   2.96208
   D160      -0.14788   0.00000  -0.00404  -0.01090  -0.01494  -0.16282
   D161       0.92241  -0.00001  -0.00378  -0.01056  -0.01434   0.90807
   D162      -2.20092  -0.00003  -0.00330  -0.01262  -0.01592  -2.21684
   D163      -3.12767   0.00003  -0.00035   0.00012  -0.00023  -3.12790
   D164       0.01218   0.00006  -0.00027   0.00150   0.00123   0.01341
   D165       0.00046  -0.00013  -0.00108  -0.00266  -0.00374  -0.00328
   D166       3.14032  -0.00010  -0.00100  -0.00128  -0.00228   3.13803
   D167       3.12742  -0.00003   0.00031  -0.00038  -0.00007   3.12735
   D168      -0.01580   0.00000  -0.00058   0.00729   0.00672  -0.00908
   D169      -0.00062   0.00014   0.00104   0.00244   0.00348   0.00286
   D170       3.13934   0.00017   0.00016   0.01011   0.01027  -3.13358
   D171      -3.12601   0.00001   0.00005  -0.00033  -0.00028  -3.12629
   D172       0.01876   0.00003   0.00006   0.00090   0.00095   0.01971
   D173      -0.00246   0.00002  -0.00042   0.00170   0.00128  -0.00118
   D174      -3.14088   0.00004  -0.00042   0.00293   0.00251  -3.13837
   D175       3.12356   0.00000   0.00010   0.00047   0.00057   3.12413
   D176      -0.01717  -0.00002   0.00026  -0.00017   0.00009  -0.01707
   D177       0.00001  -0.00001   0.00058  -0.00156  -0.00098  -0.00097
   D178      -3.14071  -0.00003   0.00074  -0.00220  -0.00146   3.14102
   D179       2.79371  -0.00010  -0.01334   0.00330  -0.01005   2.78366
   D180       0.75018  -0.00029  -0.01420   0.00064  -0.01355   0.73663
   D181      -1.32821  -0.00022  -0.01438   0.00054  -0.01384  -1.34206
   D182      -0.41226   0.00014  -0.00141   0.00148   0.00007  -0.41219
   D183      -2.45579  -0.00005  -0.00227  -0.00117  -0.00343  -2.45922
   D184       1.74900   0.00002  -0.00245  -0.00128  -0.00372   1.74528
   D185       0.00039   0.00003   0.00037   0.00098   0.00135   0.00173
   D186       3.14095   0.00003  -0.00005   0.00102   0.00097  -3.14126
   D187      -3.13947   0.00000   0.00028  -0.00040  -0.00011  -3.13958
   D188       0.00110   0.00000  -0.00013  -0.00035  -0.00049   0.00061
   D189      -0.00006  -0.00006  -0.00029  -0.00054  -0.00083  -0.00090
   D190       3.14112  -0.00007  -0.00096   0.00193   0.00096  -3.14110
   D191      -3.14004  -0.00009   0.00059  -0.00815  -0.00756   3.13558
   D192       0.00114  -0.00010  -0.00008  -0.00568  -0.00576  -0.00462
   D193       0.00299  -0.00001   0.00000  -0.00061  -0.00062   0.00237
   D194      -3.13738  -0.00001  -0.00005  -0.00023  -0.00028  -3.13766
   D195       3.14140  -0.00003  -0.00001  -0.00185  -0.00186   3.13954
   D196       0.00103  -0.00003  -0.00006  -0.00146  -0.00152  -0.00049
   D197       0.00191   0.00000  -0.00031   0.00033   0.00003   0.00194
   D198      -3.13979   0.00000  -0.00024   0.00008  -0.00017  -3.13995
   D199      -3.14055   0.00001  -0.00047   0.00098   0.00051  -3.14005
   D200       0.00093   0.00001  -0.00040   0.00072   0.00031   0.00125
   D201      -0.00108   0.00005   0.00040   0.00094   0.00134   0.00026
   D202       3.13953   0.00001  -0.00003  -0.00050  -0.00053   3.13900
   D203       3.14155   0.00005   0.00082   0.00090   0.00171  -3.13992
   D204      -0.00102   0.00002   0.00039  -0.00055  -0.00016  -0.00119
   D205       0.00092  -0.00003  -0.00044  -0.00116  -0.00160  -0.00068
   D206      -3.13969   0.00000  -0.00001   0.00029   0.00028  -3.13942
   D207      -3.14027  -0.00003   0.00024  -0.00364  -0.00340   3.13952
   D208       0.00231   0.00000   0.00067  -0.00219  -0.00153   0.00078
   D209      -0.00105   0.00000   0.00028  -0.00063  -0.00035  -0.00140
   D210       3.14117  -0.00001  -0.00011   0.00004  -0.00007   3.14109
   D211       3.13932  -0.00001   0.00033  -0.00102  -0.00069   3.13863
   D212      -0.00165  -0.00001  -0.00006  -0.00035  -0.00041  -0.00206
   D213      -0.00139   0.00001  -0.00012   0.00077   0.00064  -0.00075
   D214       3.13958   0.00001   0.00026   0.00010   0.00037   3.13994
   D215       3.14031   0.00001  -0.00019   0.00103   0.00084   3.14114
   D216      -0.00191   0.00001   0.00020   0.00036   0.00056  -0.00135
   D217      -3.04944  -0.00008  -0.00068  -0.00110  -0.00178  -3.05122
   D218       0.08028  -0.00004   0.00006   0.00034   0.00040   0.08068
   D219      -0.00850   0.00000   0.00013  -0.00016  -0.00003  -0.00853
   D220       3.12123   0.00004   0.00086   0.00128   0.00214   3.12337
   D221       3.05250   0.00004   0.00114   0.00063   0.00177   3.05427
   D222      -0.08470   0.00006   0.00152   0.00154   0.00307  -0.08163
   D223       0.01456   0.00001   0.00017   0.00002   0.00019   0.01475
   D224      -3.12263   0.00003   0.00054   0.00094   0.00148  -3.12115
   D225      -0.00381  -0.00001  -0.00030   0.00013  -0.00017  -0.00397
   D226       3.13946   0.00000  -0.00086   0.00162   0.00076   3.14022
   D227      -3.13359  -0.00005  -0.00104  -0.00129  -0.00232  -3.13592
   D228       0.00968  -0.00004  -0.00160   0.00021  -0.00139   0.00828
   D229      -2.94287   0.00002  -0.00859   0.01679   0.00820  -2.93467
   D230       1.24529   0.00002  -0.00869   0.01660   0.00792   1.25321
   D231      -0.84247   0.00007  -0.00872   0.01806   0.00933  -0.83313
   D232       0.18661   0.00006  -0.00784   0.01825   0.01042   0.19703
   D233      -1.90841   0.00006  -0.00793   0.01806   0.01013  -1.89827
   D234       2.28702   0.00011  -0.00797   0.01952   0.01155   2.29857
   D235      -0.00845  -0.00001  -0.00029   0.00013  -0.00016  -0.00861
   D236       3.13862   0.00000  -0.00057   0.00117   0.00060   3.13922
   D237       3.12878  -0.00003  -0.00066  -0.00078  -0.00143   3.12735
   D238      -0.00733  -0.00001  -0.00094   0.00026  -0.00068  -0.00801
   D239       2.84061  -0.00004  -0.00354  -0.00489  -0.00842   2.83218
   D240       0.73664   0.00003  -0.00329  -0.00439  -0.00768   0.72896
   D241      -1.34749  -0.00008  -0.00371  -0.00502  -0.00872  -1.35621
   D242      -0.29651  -0.00002  -0.00316  -0.00395  -0.00711  -0.30362
   D243      -2.40048   0.00005  -0.00291  -0.00345  -0.00636  -2.40684
   D244       1.79858  -0.00006  -0.00333  -0.00408  -0.00741   1.79118
   D245       0.00980   0.00001   0.00019   0.00002   0.00021   0.01001
   D246      -3.13597   0.00001  -0.00026   0.00098   0.00072  -3.13526
   D247      -3.13347  -0.00001   0.00075  -0.00148  -0.00073  -3.13420
   D248       0.00393   0.00000   0.00030  -0.00052  -0.00022   0.00372
   D249      -0.00352   0.00000   0.00011  -0.00015  -0.00004  -0.00356
   D250      -3.14092   0.00000   0.00056  -0.00112  -0.00055  -3.14147
   D251       3.13257  -0.00001   0.00039  -0.00119  -0.00080   3.13177
   D252      -0.00483  -0.00002   0.00085  -0.00216  -0.00131  -0.00615
         Item               Value     Threshold  Converged?
 Maximum Force            0.004960     0.000450     NO 
 RMS     Force            0.000860     0.000300     NO 
 Maximum Displacement     0.800889     0.001800     NO 
 RMS     Displacement     0.143958     0.001200     NO 
 Predicted change in Energy=-7.184209D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.111883   -0.058454   -1.500478
      2          8           0       -3.200314    0.160746   -2.514967
      3          8           0       -3.444898   -2.084854    1.451272
      4          8           0        1.964705    1.796482    2.237319
      5          8           0        3.518836   -1.260055    1.273432
      6          7           0       -3.103304   -2.629342   -0.786760
      7          7           0       -3.182229    0.411172   -0.228901
      8          7           0        2.126339    0.851392    0.147122
      9          7           0       -1.712054   -3.506858    0.989225
     10          6           0       -2.692649    1.771671   -0.207740
     11          6           0       -4.126472   -1.676072   -1.171434
     12          6           0       -1.357231    1.976130   -0.946792
     13          6           0       -0.259667    0.994659   -0.554434
     14          6           0       -4.927733   -2.069220   -2.431475
     15          6           0        1.127074    1.701094   -0.456955
     16          6           0       -2.568835    2.311020    1.232301
     17          6           0       -3.486063   -0.272750   -1.378268
     18          6           0       -2.158934   -3.065441   -1.794899
     19          6           0       -0.752885   -3.345564   -1.271486
     20          6           0        1.552208    2.177036   -1.858083
     21          6           0       -2.769189   -2.702315    0.583536
     22          6           0       -6.042888   -1.063605   -2.648467
     23          6           0       -5.515052   -3.458087   -2.296194
     24          6           0       -0.803949   -4.103000    0.053228
     25          6           0       -3.867654    2.304280    1.957298
     26          6           0        2.790121    2.999382   -1.834993
     27          6           0        2.433370    0.916133    1.484337
     28          6           0       -4.736446    3.396996    1.846926
     29          6           0       -4.227725    1.222379    2.770538
     30          6           0        2.787022    4.266720   -1.238676
     31          6           0        3.967067    2.525608   -2.425962
     32          6           0        3.438819   -0.073655    2.070418
     33          6           0       -5.947962    3.406366    2.535536
     34          6           0       -5.440407    1.235161    3.458551
     35          6           0       -6.302180    2.325342    3.342485
     36          6           0        3.942400    5.045264   -1.232970
     37          6           0        5.121584    3.307343   -2.421457
     38          6           0        5.111797    4.567528   -1.825075
     39          6           0        4.815786   -1.731480    1.080654
     40          6           0        5.296841   -1.792447   -0.240831
     41          6           0        5.565104   -2.239359    2.158087
     42          6           0        6.553094   -2.364411   -0.467969
     43          6           0        6.820308   -2.797384    1.894022
     44          6           0        4.490945   -1.276092   -1.369518
     45          6           0        5.044802   -2.196614    3.543376
     46          6           0        7.310724   -2.857244    0.591661
     47          1           0       -3.451473    2.417135   -0.752649
     48          1           0       -4.866312   -1.616071   -0.312340
     49          1           0       -1.549883    1.887629   -2.051885
     50          1           0       -1.023111    3.027192   -0.743132
     51          1           0       -0.498958    0.530216    0.445989
     52          1           0       -4.239021   -2.037604   -3.321969
     53          1           0        0.996083    2.603863    0.214276
     54          1           0       -3.434585    0.005244    0.648836
     55          1           0       -1.807841    1.712999    1.802136
     56          1           0       -2.183687    3.363710    1.162195
     57          1           0       -2.573555   -4.006654   -2.261090
     58          1           0       -2.090965   -2.278980   -2.604828
     59          1           0       -0.202646   -3.962885   -2.025642
     60          1           0       -0.195663   -2.378114   -1.142685
     61          1           0        1.679711    1.285192   -2.528907
     62          1           0        0.708447    2.788156   -2.279217
     63          1           0       -6.740121   -1.050417   -1.776310
     64          1           0       -6.624296   -1.338747   -3.561566
     65          1           0       -5.624131   -0.037928   -2.793226
     66          1           0       -6.096201   -3.547813   -1.346771
     67          1           0       -4.715854   -4.237074   -2.296851
     68          1           0       -6.202422   -3.662225   -3.153212
     69          1           0        0.226223   -4.129203    0.510317
     70          1           0       -1.121191   -5.169380   -0.143080
     71          1           0        2.395557    0.041873   -0.366623
     72          1           0       -1.540534   -3.578444    1.962704
     73          1           0       -0.985241   -0.252665   -1.867393
     74          1           0       -4.459734    4.252503    1.212846
     75          1           0       -3.553487    0.356193    2.876151
     76          1           0        1.866892    4.645589   -0.769136
     77          1           0        3.981090    1.531093   -2.896904
     78          1           0        3.070379   -0.380192    3.087387
     79          1           0        4.429585    0.441084    2.161096
     80          1           0       -6.624202    4.268751    2.442632
     81          1           0       -5.714314    0.380807    4.095370
     82          1           0       -7.257110    2.334095    3.887651
     83          1           0        3.931709    6.037795   -0.759078
     84          1           0        6.041522    2.927666   -2.889560
     85          1           0        6.022956    5.182877   -1.820474
     86          1           0        6.943741   -2.421247   -1.495294
     87          1           0        7.420583   -3.197198    2.725302
     88          1           0        4.921100   -1.593210   -2.351203
     89          1           0        4.462661   -0.156416   -1.343226
     90          1           0        3.440832   -1.657301   -1.301160
     91          1           0        5.600446   -2.906781    4.203588
     92          1           0        3.959358   -2.468662    3.559818
     93          1           0        5.154253   -1.165118    3.965198
     94          1           0        8.299710   -3.299056    0.398875
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0845883      0.0406097      0.0355855
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3233.0146279626 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246122967916     A.U. after   15 cycles
             Convg  =    0.4705D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000219515    0.000480667   -0.000265593
      2        8           0.000573978   -0.000036659   -0.000287926
      3        8           0.000011050   -0.000330137   -0.000191619
      4        8           0.000018712    0.000039698   -0.000066555
      5        8           0.000075122   -0.000307478    0.000101923
      6        7          -0.000113359   -0.000233354    0.001291195
      7        7           0.000046754   -0.000323648   -0.000006838
      8        7           0.000287111    0.000211868    0.000195219
      9        7           0.000132409    0.000801278    0.000449561
     10        6           0.000094787    0.000116146    0.000221765
     11        6           0.000208488   -0.000258171    0.000294415
     12        6          -0.000071883   -0.000250440    0.000021714
     13        6          -0.000123919   -0.000290168   -0.000086832
     14        6           0.000342599   -0.000249891   -0.000506027
     15        6          -0.000341755    0.000015159   -0.000006166
     16        6           0.000236459   -0.000094555    0.000155912
     17        6          -0.000642701    0.000021553   -0.000033064
     18        6          -0.000567535    0.000106715   -0.000512341
     19        6           0.000012315   -0.000058856    0.000011002
     20        6          -0.000358263   -0.000048895    0.000231937
     21        6           0.000100675    0.000389516   -0.000072835
     22        6           0.000134276   -0.000073341   -0.000213916
     23        6           0.000054419    0.000128439    0.000003319
     24        6           0.000059744   -0.000430193   -0.000220186
     25        6          -0.000021796    0.000193589   -0.000101631
     26        6           0.000074545   -0.000107466    0.000020204
     27        6           0.000084979    0.000085603   -0.000088019
     28        6          -0.000240904    0.000087777    0.000307734
     29        6           0.000367838   -0.000367019   -0.000230079
     30        6          -0.000124618   -0.000021427   -0.000042049
     31        6           0.000077615   -0.000046394    0.000006863
     32        6           0.000132086    0.000230796   -0.000117162
     33        6          -0.000049078   -0.000125163    0.000037084
     34        6          -0.000007983    0.000098756   -0.000092823
     35        6           0.000034746    0.000085876   -0.000068906
     36        6          -0.000017782   -0.000026900   -0.000048031
     37        6           0.000031684   -0.000010250    0.000053526
     38        6           0.000028721   -0.000030895   -0.000060486
     39        6           0.000333085    0.000427805   -0.000302382
     40        6           0.000296634   -0.000047268    0.000023958
     41        6          -0.000495229   -0.000148053    0.000267439
     42        6          -0.000275970    0.000036919   -0.000151518
     43        6           0.000093158   -0.000154957    0.000125018
     44        6          -0.000100767   -0.000003126    0.000226975
     45        6           0.000008918    0.000003397   -0.000092312
     46        6           0.000126527    0.000084640   -0.000168865
     47        1          -0.000059113    0.000102998   -0.000124204
     48        1          -0.000299264    0.000072950    0.000120134
     49        1           0.000014978    0.000000040   -0.000158241
     50        1           0.000194082    0.000069704    0.000178093
     51        1           0.000054630   -0.000019445    0.000022729
     52        1          -0.000005355   -0.000057310   -0.000226919
     53        1          -0.000160963    0.000052393    0.000096233
     54        1           0.000097583    0.000469150   -0.000565333
     55        1          -0.000160070   -0.000049751    0.000293648
     56        1           0.000112402    0.000057531   -0.000166431
     57        1           0.000027970   -0.000038871   -0.000155129
     58        1           0.000066324    0.000383317   -0.000128915
     59        1           0.000016103   -0.000054279   -0.000034137
     60        1           0.000290243    0.000207029    0.000129404
     61        1           0.000035042    0.000034477   -0.000038861
     62        1           0.000045326    0.000127206   -0.000176024
     63        1           0.000023604   -0.000052285    0.000040706
     64        1           0.000036205   -0.000007353   -0.000058128
     65        1           0.000075661    0.000050583    0.000005699
     66        1           0.000045609    0.000030659    0.000057347
     67        1          -0.000069015    0.000162274    0.000104325
     68        1           0.000040568    0.000067786    0.000033172
     69        1           0.000040895   -0.000019872    0.000105197
     70        1          -0.000058372    0.000009770   -0.000040913
     71        1          -0.000071781    0.000047797   -0.000118801
     72        1          -0.000080451   -0.000405144   -0.000240833
     73        1          -0.000592053   -0.000333640    0.000143622
     74        1           0.000070802    0.000003059   -0.000005811
     75        1          -0.000340656   -0.000277661    0.000544803
     76        1           0.000044702    0.000008663    0.000011098
     77        1          -0.000032858   -0.000011829   -0.000020131
     78        1          -0.000098736   -0.000187850    0.000161953
     79        1           0.000044947   -0.000099662    0.000032795
     80        1           0.000039194   -0.000011300   -0.000013234
     81        1          -0.000064109   -0.000014343    0.000120793
     82        1           0.000007584   -0.000024705    0.000063578
     83        1          -0.000000089    0.000002153    0.000027623
     84        1          -0.000016851    0.000012651   -0.000012286
     85        1          -0.000020683    0.000012995    0.000026686
     86        1          -0.000003296    0.000046415    0.000021034
     87        1          -0.000030178   -0.000000895   -0.000018191
     88        1          -0.000030289    0.000103067   -0.000040539
     89        1          -0.000040588   -0.000028195   -0.000024261
     90        1          -0.000044146   -0.000084580    0.000015247
     91        1          -0.000024712    0.000025272   -0.000002157
     92        1           0.000071148   -0.000009911   -0.000031409
     93        1           0.000075134    0.000041695    0.000038541
     94        1          -0.000012515    0.000015752   -0.000006175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001291195 RMS     0.000201272

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001423660 RMS     0.000221676
 Search for a local minimum.
 Step number  20 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   17   18   19   20
 DE= -4.40D-04 DEPred=-7.18D-04 R= 6.13D-01
 SS=  1.41D+00  RLast= 3.15D-01 DXNew= 7.2321D-01 9.4363D-01
 Trust test= 6.13D-01 RLast= 3.15D-01 DXMaxT set to 7.23D-01
     Eigenvalues ---    0.00160   0.00216   0.00230   0.00231   0.00236
     Eigenvalues ---    0.00255   0.00296   0.00320   0.00361   0.00390
     Eigenvalues ---    0.00399   0.00466   0.00484   0.00489   0.00543
     Eigenvalues ---    0.00605   0.00680   0.00757   0.01039   0.01252
     Eigenvalues ---    0.01309   0.01342   0.01363   0.01396   0.01419
     Eigenvalues ---    0.01442   0.01479   0.01511   0.01568   0.01650
     Eigenvalues ---    0.01975   0.02007   0.02066   0.02087   0.02115
     Eigenvalues ---    0.02120   0.02141   0.02148   0.02149   0.02153
     Eigenvalues ---    0.02160   0.02168   0.02172   0.02172   0.02175
     Eigenvalues ---    0.02176   0.02179   0.02179   0.02180   0.02182
     Eigenvalues ---    0.02186   0.02187   0.02188   0.02267   0.02306
     Eigenvalues ---    0.02363   0.02665   0.02986   0.03114   0.03470
     Eigenvalues ---    0.03679   0.03753   0.03913   0.03965   0.03992
     Eigenvalues ---    0.04236   0.04330   0.04394   0.04597   0.04606
     Eigenvalues ---    0.04808   0.04821   0.04970   0.05045   0.05087
     Eigenvalues ---    0.05182   0.05377   0.05418   0.05428   0.05476
     Eigenvalues ---    0.05585   0.05621   0.05627   0.05664   0.05725
     Eigenvalues ---    0.05920   0.05962   0.06608   0.06762   0.07107
     Eigenvalues ---    0.07109   0.07204   0.07246   0.07368   0.07528
     Eigenvalues ---    0.07796   0.08037   0.08273   0.08621   0.09228
     Eigenvalues ---    0.09315   0.09388   0.09688   0.11022   0.11580
     Eigenvalues ---    0.12150   0.12475   0.12815   0.12872   0.14058
     Eigenvalues ---    0.15550   0.15732   0.15885   0.15928   0.15971
     Eigenvalues ---    0.15993   0.15998   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16002   0.16003   0.16005   0.16008   0.16016
     Eigenvalues ---    0.16035   0.16064   0.16166   0.16248   0.16507
     Eigenvalues ---    0.16764   0.17339   0.17391   0.18439   0.18941
     Eigenvalues ---    0.19608   0.19901   0.20502   0.20767   0.21610
     Eigenvalues ---    0.21830   0.21985   0.22000   0.22000   0.22002
     Eigenvalues ---    0.22043   0.22141   0.22497   0.22950   0.23187
     Eigenvalues ---    0.23399   0.23444   0.23493   0.23632   0.23704
     Eigenvalues ---    0.24610   0.24763   0.24891   0.24963   0.24999
     Eigenvalues ---    0.25015   0.25122   0.25424   0.25618   0.25865
     Eigenvalues ---    0.26826   0.26967   0.27463   0.27518   0.27766
     Eigenvalues ---    0.28150   0.28385   0.28700   0.28814   0.29608
     Eigenvalues ---    0.29923   0.30165   0.30855   0.30991   0.31572
     Eigenvalues ---    0.32003   0.33008   0.33359   0.33961   0.34429
     Eigenvalues ---    0.34457   0.34514   0.34559   0.34617   0.34638
     Eigenvalues ---    0.34650   0.34694   0.34704   0.34725   0.34734
     Eigenvalues ---    0.34739   0.34741   0.34751   0.34753   0.34761
     Eigenvalues ---    0.34777   0.34789   0.34791   0.34798   0.34811
     Eigenvalues ---    0.34812   0.34831   0.34832   0.34848   0.34869
     Eigenvalues ---    0.34877   0.34898   0.34985   0.35299   0.35811
     Eigenvalues ---    0.35882   0.35895   0.35920   0.35944   0.35968
     Eigenvalues ---    0.35984   0.35991   0.35997   0.36002   0.36025
     Eigenvalues ---    0.36033   0.36062   0.36205   0.36959   0.38186
     Eigenvalues ---    0.39741   0.40270   0.40973   0.42228   0.42259
     Eigenvalues ---    0.42347   0.42380   0.42631   0.44058   0.44885
     Eigenvalues ---    0.45690   0.45963   0.46016   0.46092   0.46136
     Eigenvalues ---    0.46202   0.46267   0.46341   0.46429   0.46754
     Eigenvalues ---    0.46764   0.46776   0.46931   0.47227   0.47869
     Eigenvalues ---    0.49138   0.51037   0.53038   0.55470   0.56571
     Eigenvalues ---    0.58117   0.65400   0.90154   0.90454   0.92537
     Eigenvalues ---    0.972421000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    20   19   18   17   16
 RFO step:  Lambda=-5.62921366D-05.
 DIIS coeffs:      0.81696      0.18928      0.01034      0.03506     -0.05163
 Iteration  1 RMS(Cart)=  0.02708518 RMS(Int)=  0.00016826
 Iteration  2 RMS(Cart)=  0.00025402 RMS(Int)=  0.00004419
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00004419
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68972  -0.00024   0.00028  -0.00127  -0.00098   2.68873
    R2        1.82737   0.00028   0.00008   0.00022   0.00030   1.82768
    R3        2.36152  -0.00030   0.00028   0.00011   0.00039   2.36191
    R4        2.38346  -0.00001   0.00057  -0.00105  -0.00048   2.38298
    R5        2.36151   0.00005  -0.00004   0.00010   0.00006   2.36157
    R6        2.70511  -0.00001  -0.00020   0.00007  -0.00014   2.70497
    R7        2.63309  -0.00022   0.00001  -0.00020  -0.00018   2.63291
    R8        2.74080  -0.00004   0.00051   0.00037   0.00088   2.74168
    R9        2.73740  -0.00078  -0.00003   0.00089   0.00087   2.73828
   R10        2.66891   0.00039   0.00074   0.00169   0.00247   2.67138
   R11        2.73266  -0.00009  -0.00017   0.00019   0.00001   2.73267
   R12        2.59183  -0.00032  -0.00026  -0.00076  -0.00102   2.59080
   R13        1.88867   0.00068   0.00043   0.00025   0.00068   1.88935
   R14        2.72896   0.00044   0.00016   0.00029   0.00045   2.72941
   R15        2.59561   0.00019   0.00027   0.00033   0.00061   2.59621
   R16        1.88190  -0.00014   0.00013  -0.00006   0.00006   1.88196
   R17        2.62489   0.00016  -0.00015   0.00037   0.00024   2.62513
   R18        2.70972   0.00010  -0.00011   0.00059   0.00046   2.71018
   R19        1.87284  -0.00001  -0.00013   0.00031   0.00017   1.87301
   R20        2.91002  -0.00022   0.00024  -0.00127  -0.00104   2.90898
   R21        2.91529  -0.00092  -0.00009  -0.00118  -0.00127   2.91403
   R22        2.14579   0.00003   0.00016   0.00005   0.00021   2.14600
   R23        2.91795  -0.00098  -0.00002  -0.00187  -0.00189   2.91606
   R24        2.94107   0.00030   0.00034   0.00006   0.00039   2.94146
   R25        2.14549   0.00008   0.00005  -0.00030  -0.00025   2.14524
   R26        2.87951  -0.00076  -0.00046  -0.00002  -0.00047   2.87904
   R27        2.12641  -0.00014   0.00023  -0.00048  -0.00025   2.12615
   R28        2.11940  -0.00023   0.00032  -0.00067  -0.00035   2.11905
   R29        2.94676  -0.00038   0.00041  -0.00021   0.00020   2.94697
   R30        2.13281  -0.00001   0.00025  -0.00038  -0.00013   2.13268
   R31        2.86711  -0.00024  -0.00014  -0.00044  -0.00058   2.86653
   R32        2.86105   0.00043   0.00030  -0.00047  -0.00017   2.86088
   R33        2.12819  -0.00007   0.00004   0.00009   0.00013   2.12832
   R34        2.90945   0.00014   0.00010   0.00005   0.00014   2.90960
   R35        2.14024  -0.00002   0.00016  -0.00030  -0.00014   2.14010
   R36        2.81093  -0.00034  -0.00035   0.00032  -0.00003   2.81090
   R37        2.12243  -0.00023   0.00014  -0.00065  -0.00051   2.12193
   R38        2.12240   0.00000   0.00017  -0.00019  -0.00002   2.12238
   R39        2.88417   0.00017  -0.00001  -0.00036  -0.00039   2.88378
   R40        2.13391  -0.00015  -0.00005  -0.00015  -0.00020   2.13370
   R41        2.13725  -0.00036   0.00021  -0.00070  -0.00050   2.13676
   R42        2.88527  -0.00013  -0.00019  -0.00005  -0.00027   2.88500
   R43        2.11497   0.00000   0.00008  -0.00013  -0.00005   2.11492
   R44        2.12377  -0.00028   0.00033  -0.00066  -0.00033   2.12344
   R45        2.80878   0.00022  -0.00014   0.00047   0.00034   2.80912
   R46        2.12260  -0.00002   0.00014  -0.00029  -0.00016   2.12244
   R47        2.12353  -0.00006   0.00015  -0.00019  -0.00003   2.12350
   R48        2.11021  -0.00007   0.00012  -0.00031  -0.00019   2.11002
   R49        2.11065  -0.00007   0.00013  -0.00035  -0.00022   2.11043
   R50        2.11136  -0.00007   0.00009  -0.00017  -0.00007   2.11129
   R51        2.11040  -0.00001   0.00009  -0.00026  -0.00016   2.11024
   R52        2.10900  -0.00005   0.00012  -0.00012   0.00000   2.10901
   R53        2.11162   0.00001   0.00005  -0.00005   0.00001   2.11163
   R54        2.13034  -0.00001   0.00010  -0.00039  -0.00028   2.13006
   R55        2.13493  -0.00004   0.00006  -0.00012  -0.00005   2.13487
   R56        2.64630  -0.00002   0.00001   0.00005   0.00007   2.64637
   R57        2.64664  -0.00060   0.00005  -0.00086  -0.00080   2.64584
   R58        2.64680   0.00008   0.00002   0.00004   0.00006   2.64685
   R59        2.64488   0.00006  -0.00001   0.00011   0.00010   2.64498
   R60        2.88708   0.00009  -0.00042   0.00046   0.00004   2.88712
   R61        2.63347  -0.00007   0.00000  -0.00009  -0.00010   2.63337
   R62        2.07914  -0.00004   0.00007  -0.00010  -0.00004   2.07911
   R63        2.63488   0.00008   0.00001   0.00011   0.00012   2.63500
   R64        2.08387  -0.00020   0.00029  -0.00056  -0.00027   2.08360
   R65        2.63280   0.00003   0.00000   0.00001   0.00002   2.63282
   R66        2.07926  -0.00003   0.00009  -0.00017  -0.00008   2.07917
   R67        2.63482   0.00001   0.00003  -0.00009  -0.00006   2.63477
   R68        2.07960  -0.00004   0.00009  -0.00017  -0.00008   2.07952
   R69        2.12453  -0.00026   0.00030  -0.00079  -0.00050   2.12403
   R70        2.11683   0.00008  -0.00011   0.00030   0.00019   2.11701
   R71        2.63564   0.00016   0.00000   0.00016   0.00016   2.63580
   R72        2.07839  -0.00003   0.00005  -0.00011  -0.00005   2.07834
   R73        2.63522   0.00007  -0.00002   0.00011   0.00009   2.63530
   R74        2.07912  -0.00004   0.00006  -0.00009  -0.00003   2.07908
   R75        2.07799  -0.00004   0.00006  -0.00015  -0.00009   2.07790
   R76        2.63636   0.00003   0.00000   0.00001   0.00000   2.63637
   R77        2.07853  -0.00002   0.00007  -0.00012  -0.00006   2.07848
   R78        2.63468   0.00005  -0.00002   0.00008   0.00006   2.63475
   R79        2.07832  -0.00002   0.00007  -0.00012  -0.00005   2.07827
   R80        2.07774  -0.00003   0.00007  -0.00014  -0.00008   2.07766
   R81        2.66005   0.00005  -0.00032   0.00065   0.00033   2.66039
   R82        2.65927  -0.00031   0.00031  -0.00064  -0.00033   2.65894
   R83        2.64353  -0.00022   0.00022  -0.00045  -0.00023   2.64330
   R84        2.79656   0.00027  -0.00022   0.00083   0.00061   2.79716
   R85        2.64336   0.00007  -0.00017   0.00023   0.00006   2.64342
   R86        2.79754   0.00011  -0.00018   0.00040   0.00022   2.79776
   R87        2.63188   0.00007  -0.00015   0.00006  -0.00008   2.63180
   R88        2.07976  -0.00002   0.00007  -0.00017  -0.00009   2.07966
   R89        2.63224  -0.00021   0.00020  -0.00044  -0.00023   2.63201
   R90        2.07974  -0.00002   0.00004  -0.00004  -0.00001   2.07973
   R91        2.11219  -0.00010   0.00018  -0.00044  -0.00025   2.11193
   R92        2.11714   0.00005   0.00008   0.00004   0.00012   2.11726
   R93        2.11508  -0.00005   0.00005  -0.00005  -0.00001   2.11508
   R94        2.11190  -0.00002   0.00006  -0.00007  -0.00001   2.11189
   R95        2.11486  -0.00005   0.00010  -0.00020  -0.00010   2.11477
   R96        2.11607  -0.00008   0.00013  -0.00027  -0.00015   2.11592
   R97        2.07909  -0.00002   0.00004  -0.00006  -0.00002   2.07908
    A1        1.88286  -0.00030   0.00091  -0.00001   0.00089   1.88375
    A2        1.99267  -0.00010   0.00007   0.00053   0.00060   1.99327
    A3        2.06371  -0.00006  -0.00232  -0.00268  -0.00553   2.05818
    A4        2.04674   0.00021  -0.00246  -0.00077  -0.00378   2.04296
    A5        2.10071  -0.00015  -0.00194  -0.00294  -0.00523   2.09548
    A6        2.16086   0.00037   0.00082   0.00326   0.00407   2.16493
    A7        2.04290  -0.00054  -0.00048  -0.00240  -0.00289   2.04000
    A8        2.06861   0.00017  -0.00010  -0.00073  -0.00084   2.06776
    A9        2.13434   0.00027  -0.00087   0.00025  -0.00066   2.13368
   A10        2.03707  -0.00012  -0.00035  -0.00060  -0.00099   2.03608
   A11        2.07159  -0.00013  -0.00056  -0.00074  -0.00134   2.07026
   A12        2.13192  -0.00003  -0.00065  -0.00086  -0.00173   2.13018
   A13        2.04928   0.00000   0.00006  -0.00154  -0.00179   2.04749
   A14        2.09617   0.00001   0.00005  -0.00060  -0.00087   2.09531
   A15        1.99489   0.00070   0.00138   0.00120   0.00258   1.99747
   A16        1.94954  -0.00141  -0.00122  -0.00222  -0.00345   1.94610
   A17        1.87709   0.00033   0.00046   0.00049   0.00094   1.87804
   A18        1.90919   0.00064   0.00008   0.00043   0.00051   1.90970
   A19        1.84808  -0.00044  -0.00083   0.00162   0.00079   1.84887
   A20        1.87848   0.00019   0.00011  -0.00147  -0.00137   1.87711
   A21        1.99891  -0.00044  -0.00081  -0.00147  -0.00228   1.99663
   A22        1.91517   0.00096   0.00139   0.00364   0.00503   1.92020
   A23        1.86894   0.00005  -0.00077   0.00084   0.00005   1.86900
   A24        1.91203  -0.00049  -0.00012  -0.00358  -0.00370   1.90834
   A25        1.86793   0.00010   0.00020  -0.00138  -0.00119   1.86674
   A26        1.89763  -0.00019   0.00009   0.00214   0.00223   1.89986
   A27        1.99934  -0.00029   0.00118  -0.00203  -0.00085   1.99849
   A28        1.88854   0.00013  -0.00026   0.00125   0.00099   1.88953
   A29        1.87091   0.00014  -0.00032  -0.00060  -0.00092   1.86999
   A30        1.90238  -0.00008  -0.00032   0.00113   0.00081   1.90319
   A31        1.92015   0.00017  -0.00020   0.00047   0.00027   1.92042
   A32        1.87869  -0.00006  -0.00015  -0.00015  -0.00029   1.87840
   A33        1.96082  -0.00058   0.00069   0.00129   0.00199   1.96281
   A34        1.85918   0.00034  -0.00012   0.00127   0.00114   1.86033
   A35        1.88252   0.00008  -0.00040  -0.00238  -0.00278   1.87974
   A36        1.94428   0.00011  -0.00066   0.00024  -0.00042   1.94385
   A37        1.91833   0.00012   0.00062  -0.00035   0.00027   1.91861
   A38        1.89606  -0.00005  -0.00018  -0.00015  -0.00033   1.89574
   A39        1.90642  -0.00037  -0.00014  -0.00298  -0.00313   1.90329
   A40        1.94116   0.00028   0.00004   0.00129   0.00133   1.94249
   A41        1.89733  -0.00005   0.00039  -0.00215  -0.00177   1.89556
   A42        1.91312   0.00005  -0.00001   0.00140   0.00139   1.91451
   A43        1.89420   0.00008  -0.00013   0.00055   0.00041   1.89461
   A44        1.91096   0.00001  -0.00015   0.00186   0.00171   1.91266
   A45        1.95514  -0.00016   0.00050  -0.00080  -0.00029   1.95485
   A46        1.95142   0.00032  -0.00010   0.00037   0.00027   1.95169
   A47        1.87667   0.00006  -0.00060   0.00197   0.00137   1.87804
   A48        1.90574  -0.00020  -0.00008  -0.00073  -0.00081   1.90493
   A49        1.87057   0.00006   0.00013  -0.00038  -0.00025   1.87032
   A50        1.90168  -0.00010   0.00015  -0.00042  -0.00027   1.90141
   A51        1.96416  -0.00142   0.00012  -0.00346  -0.00335   1.96081
   A52        1.91965  -0.00006  -0.00069  -0.00003  -0.00072   1.91893
   A53        1.87229   0.00082   0.00026   0.00192   0.00219   1.87447
   A54        1.91976   0.00058  -0.00041   0.00062   0.00021   1.91996
   A55        1.91145   0.00034   0.00030   0.00115   0.00146   1.91290
   A56        1.87379  -0.00019   0.00045   0.00000   0.00045   1.87424
   A57        2.13961  -0.00035  -0.00003   0.00021   0.00019   2.13979
   A58        2.12675   0.00013  -0.00015  -0.00167  -0.00181   2.12494
   A59        2.01464   0.00023  -0.00001   0.00142   0.00142   2.01606
   A60        2.00113   0.00030   0.00121   0.00040   0.00169   2.00282
   A61        1.87431  -0.00006  -0.00141  -0.00205  -0.00348   1.87083
   A62        1.90522  -0.00026   0.00087  -0.00054   0.00031   1.90553
   A63        1.90378  -0.00018   0.00030   0.00021   0.00049   1.90427
   A64        1.89426   0.00013  -0.00103   0.00103  -0.00002   1.89424
   A65        1.88181   0.00006   0.00000   0.00097   0.00099   1.88279
   A66        1.93669   0.00000   0.00035  -0.00107  -0.00069   1.93600
   A67        1.89977   0.00004   0.00007   0.00042   0.00048   1.90025
   A68        1.91567   0.00014  -0.00063   0.00100   0.00036   1.91603
   A69        1.90440   0.00002  -0.00021   0.00024   0.00002   1.90443
   A70        1.92218  -0.00015   0.00010  -0.00003   0.00006   1.92224
   A71        1.88418  -0.00004   0.00031  -0.00054  -0.00022   1.88396
   A72        1.96803   0.00027  -0.00015   0.00101   0.00086   1.96889
   A73        1.90647  -0.00009   0.00045  -0.00153  -0.00108   1.90538
   A74        1.87742  -0.00023  -0.00022  -0.00054  -0.00075   1.87666
   A75        1.93267  -0.00005   0.00008   0.00012   0.00019   1.93287
   A76        1.90742  -0.00002   0.00015  -0.00078  -0.00063   1.90679
   A77        1.86839   0.00011  -0.00033   0.00175   0.00142   1.86981
   A78        2.11236   0.00006   0.00053  -0.00071  -0.00025   2.11211
   A79        2.08328  -0.00006  -0.00076   0.00065  -0.00017   2.08311
   A80        2.08673   0.00001   0.00018   0.00009   0.00037   2.08710
   A81        1.93376   0.00000  -0.00001   0.00017   0.00016   1.93392
   A82        1.91373   0.00001  -0.00013   0.00053   0.00040   1.91413
   A83        1.92998  -0.00007  -0.00006  -0.00054  -0.00060   1.92938
   A84        1.89272   0.00001   0.00008  -0.00020  -0.00013   1.89260
   A85        1.90114   0.00003   0.00002  -0.00007  -0.00005   1.90109
   A86        1.89160   0.00004   0.00011   0.00012   0.00023   1.89182
   A87        1.93001   0.00005   0.00001   0.00023   0.00024   1.93024
   A88        1.94170   0.00025  -0.00011   0.00024   0.00013   1.94183
   A89        1.91525   0.00006  -0.00004   0.00023   0.00019   1.91544
   A90        1.89343  -0.00014   0.00003  -0.00025  -0.00022   1.89321
   A91        1.89362  -0.00007   0.00000  -0.00012  -0.00012   1.89349
   A92        1.88866  -0.00016   0.00012  -0.00035  -0.00023   1.88843
   A93        1.96198  -0.00008  -0.00023   0.00002  -0.00023   1.96175
   A94        1.90045   0.00018   0.00034   0.00140   0.00175   1.90220
   A95        1.90499  -0.00010  -0.00028  -0.00129  -0.00157   1.90342
   A96        1.91002  -0.00010   0.00004   0.00022   0.00024   1.91026
   A97        1.90381   0.00011   0.00003  -0.00019  -0.00014   1.90366
   A98        1.88086  -0.00002   0.00012  -0.00017  -0.00005   1.88081
   A99        2.09413   0.00050  -0.00001   0.00062   0.00060   2.09473
   A100       2.10714  -0.00080   0.00000  -0.00077  -0.00078   2.10636
   A101       2.08179   0.00030   0.00002   0.00025   0.00026   2.08205
   A102       2.10063  -0.00006   0.00012  -0.00034  -0.00022   2.10041
   A103       2.10194   0.00008  -0.00008   0.00030   0.00022   2.10216
   A104       2.08050  -0.00002  -0.00005   0.00004  -0.00001   2.08049
   A105       2.13648   0.00005   0.00002   0.00012   0.00014   2.13661
   A106       2.06243  -0.00008  -0.00020   0.00039   0.00018   2.06261
   A107       2.08294   0.00003   0.00002  -0.00024  -0.00022   2.08272
   A108       2.10094  -0.00014   0.00001  -0.00011  -0.00010   2.10084
   A109       2.08994   0.00001   0.00004  -0.00006  -0.00003   2.08991
   A110       2.09231   0.00013  -0.00005   0.00017   0.00012   2.09243
   A111       2.09791  -0.00002  -0.00008   0.00009   0.00002   2.09793
   A112       2.10041  -0.00036   0.00008  -0.00056  -0.00048   2.09992
   A113       2.08485   0.00038  -0.00001   0.00049   0.00047   2.08533
   A114       2.10080   0.00001   0.00002  -0.00001   0.00001   2.10082
   A115       2.08875  -0.00002   0.00004  -0.00018  -0.00014   2.08861
   A116       2.09363   0.00002  -0.00006   0.00018   0.00012   2.09375
   A117       2.10035   0.00001   0.00002  -0.00004  -0.00002   2.10033
   A118       2.09130  -0.00001   0.00000  -0.00010  -0.00010   2.09120
   A119       2.09153   0.00000  -0.00002   0.00015   0.00012   2.09165
   A120       1.93922   0.00026  -0.00002  -0.00032  -0.00034   1.93888
   A121       1.87127  -0.00009  -0.00054   0.00085   0.00031   1.87157
   A122       1.95678  -0.00009   0.00058  -0.00061  -0.00002   1.95676
   A123       1.88386  -0.00010  -0.00002   0.00007   0.00005   1.88392
   A124       1.89171  -0.00004   0.00024  -0.00053  -0.00030   1.89141
   A125       1.91976   0.00006  -0.00027   0.00059   0.00032   1.92008
   A126       2.09610  -0.00005   0.00000  -0.00007  -0.00007   2.09602
   A127       2.09216   0.00002   0.00000  -0.00003  -0.00003   2.09213
   A128       2.09493   0.00004   0.00000   0.00011   0.00011   2.09504
   A129       2.09853  -0.00009   0.00007  -0.00015  -0.00008   2.09845
   A130       2.08865   0.00006  -0.00009   0.00014   0.00005   2.08870
   A131       2.09601   0.00004   0.00002   0.00001   0.00003   2.09604
   A132       2.09110   0.00001  -0.00002   0.00000  -0.00002   2.09108
   A133       2.09581   0.00000   0.00000   0.00005   0.00004   2.09585
   A134       2.09627  -0.00001   0.00003  -0.00005  -0.00002   2.09625
   A135       2.09674   0.00000   0.00003  -0.00004  -0.00002   2.09672
   A136       2.09204   0.00000  -0.00001   0.00000  -0.00002   2.09202
   A137       2.09441   0.00000  -0.00001   0.00005   0.00003   2.09444
   A138       2.09710   0.00001   0.00002   0.00000   0.00002   2.09712
   A139       2.09172   0.00000  -0.00001   0.00000  -0.00001   2.09171
   A140       2.09436  -0.00001  -0.00001   0.00000  -0.00001   2.09435
   A141       2.09088   0.00001  -0.00004   0.00005   0.00001   2.09089
   A142       2.09579   0.00000   0.00002   0.00000   0.00001   2.09580
   A143       2.09652  -0.00001   0.00002  -0.00005  -0.00002   2.09649
   A144       2.05176  -0.00023   0.00004  -0.00222  -0.00218   2.04958
   A145       2.10809   0.00023  -0.00024   0.00237   0.00214   2.11022
   A146       2.11903   0.00001   0.00018  -0.00005   0.00013   2.11916
   A147       2.06808  -0.00003  -0.00006  -0.00003  -0.00009   2.06799
   A148       2.11156   0.00005   0.00002  -0.00019  -0.00017   2.11140
   A149       2.10350  -0.00002   0.00003   0.00024   0.00027   2.10377
   A150       2.06832   0.00002  -0.00013  -0.00013  -0.00026   2.06806
   A151       2.11635   0.00021  -0.00020   0.00109   0.00089   2.11724
   A152       2.09850  -0.00023   0.00034  -0.00097  -0.00063   2.09787
   A153       2.10559   0.00005  -0.00006   0.00011   0.00005   2.10564
   A154       2.08454  -0.00004   0.00001  -0.00047  -0.00046   2.08407
   A155       2.09305  -0.00001   0.00005   0.00037   0.00042   2.09347
   A156       2.10549   0.00001  -0.00002   0.00029   0.00026   2.10576
   A157       2.08492  -0.00003   0.00003   0.00001   0.00004   2.08496
   A158       2.09275   0.00002  -0.00001  -0.00030  -0.00030   2.09245
   A159       1.94045   0.00001  -0.00004  -0.00010  -0.00014   1.94031
   A160       1.92257   0.00000   0.00017  -0.00022  -0.00005   1.92252
   A161       1.92358   0.00011  -0.00016   0.00080   0.00064   1.92422
   A162       1.89007   0.00000  -0.00004   0.00000  -0.00004   1.89003
   A163       1.89450  -0.00007  -0.00012   0.00020   0.00008   1.89458
   A164       1.89154  -0.00005   0.00020  -0.00070  -0.00050   1.89104
   A165       1.93876   0.00001   0.00006  -0.00027  -0.00022   1.93854
   A166       1.92582   0.00005  -0.00008   0.00039   0.00031   1.92612
   A167       1.92276   0.00004  -0.00006   0.00061   0.00055   1.92331
   A168       1.89555  -0.00006   0.00018  -0.00068  -0.00050   1.89505
   A169       1.89043  -0.00004   0.00007  -0.00046  -0.00040   1.89003
   A170       1.88935   0.00000  -0.00016   0.00041   0.00025   1.88959
   A171       2.09975  -0.00006   0.00010  -0.00020  -0.00010   2.09965
   A172       2.09183   0.00004  -0.00007   0.00050   0.00043   2.09226
   A173       2.09160   0.00002  -0.00003  -0.00031  -0.00034   2.09126
    D1       -0.58138   0.00041   0.01400   0.04067   0.05468  -0.52671
    D2       -2.71482   0.00040   0.01448   0.03873   0.05321  -2.66161
    D3        1.53550   0.00025   0.01495   0.03943   0.05438   1.58988
    D4        2.40632   0.00003  -0.00200   0.00021  -0.00179   2.40453
    D5       -1.82216  -0.00001  -0.00236   0.00062  -0.00174  -1.82390
    D6        0.28650  -0.00004  -0.00270   0.00155  -0.00115   0.28535
    D7       -2.07147  -0.00013  -0.00060  -0.01016  -0.01077  -2.08223
    D8        1.16837  -0.00017  -0.00042  -0.01125  -0.01168   1.15670
    D9        0.89276  -0.00010   0.00910   0.00042   0.00948   0.90225
   D10       -1.26576   0.00012   0.00875   0.00337   0.01209  -1.25366
   D11        2.96070  -0.00021   0.00832  -0.00161   0.00668   2.96738
   D12       -2.64543  -0.00015  -0.01092  -0.01701  -0.02790  -2.67333
   D13        1.47924   0.00007  -0.01128  -0.01405  -0.02530   1.45394
   D14       -0.57749  -0.00025  -0.01171  -0.01904  -0.03071  -0.60820
   D15        2.54891   0.00015  -0.01108  -0.01660  -0.02763   2.52127
   D16       -1.61587   0.00007  -0.01094  -0.01756  -0.02845  -1.64432
   D17        0.41980  -0.00003  -0.01124  -0.01781  -0.02902   0.39078
   D18       -0.18343   0.00011   0.00975   0.00088   0.01058  -0.17285
   D19        1.93498   0.00003   0.00989  -0.00008   0.00977   1.94474
   D20       -2.31253  -0.00007   0.00959  -0.00034   0.00919  -2.30334
   D21        0.14736  -0.00026   0.01036   0.00685   0.01723   0.16458
   D22       -3.03790  -0.00004   0.00825   0.00759   0.01582  -3.02208
   D23        2.88355  -0.00029  -0.01021  -0.01089  -0.02106   2.86249
   D24       -0.30171  -0.00006  -0.01232  -0.01015  -0.02246  -0.32417
   D25       -1.05604   0.00034   0.01231   0.01130   0.02360  -1.03244
   D26        3.04777   0.00008   0.01211   0.01159   0.02370   3.07147
   D27        0.99027   0.00044   0.01240   0.01434   0.02674   1.01701
   D28        2.24581   0.00039   0.01071   0.01052   0.02123   2.26704
   D29        0.06644   0.00012   0.01052   0.01081   0.02133   0.08777
   D30       -1.99106   0.00048   0.01080   0.01357   0.02437  -1.96669
   D31        0.16840   0.00051   0.00273   0.00097   0.00370   0.17210
   D32       -3.04311   0.00055   0.00002   0.00045   0.00046  -3.04264
   D33       -3.13566   0.00041   0.00432   0.00162   0.00594  -3.12972
   D34       -0.06398   0.00044   0.00161   0.00110   0.00270  -0.06128
   D35       -1.67396  -0.00011   0.01113  -0.00794   0.00319  -1.67077
   D36        2.46352   0.00003   0.01094  -0.00667   0.00427   2.46779
   D37        0.37683  -0.00008   0.01120  -0.00763   0.00357   0.38040
   D38        1.16266  -0.00008   0.00421  -0.01209  -0.00787   1.15479
   D39       -0.98305   0.00006   0.00402  -0.01083  -0.00680  -0.98985
   D40       -3.06974  -0.00005   0.00428  -0.01178  -0.00750  -3.07724
   D41       -0.12302   0.00000  -0.00592   0.00118  -0.00473  -0.12775
   D42        3.07523   0.00005  -0.00232  -0.00444  -0.00676   3.06848
   D43       -2.95388  -0.00003   0.00110   0.00539   0.00649  -2.94739
   D44        0.24438   0.00001   0.00469  -0.00023   0.00446   0.24883
   D45       -3.00451   0.00022   0.00630   0.01478   0.02109  -2.98343
   D46        0.18001  -0.00001   0.00835   0.01408   0.02247   0.20248
   D47        0.02143   0.00001  -0.00142  -0.01497  -0.01634   0.00509
   D48       -3.07723  -0.00021   0.00063  -0.01566  -0.01496  -3.09219
   D49        0.40886   0.00001  -0.00222  -0.00783  -0.01002   0.39884
   D50        2.52832  -0.00004  -0.00209  -0.00657  -0.00865   2.51967
   D51       -1.70588  -0.00001  -0.00191  -0.00671  -0.00860  -1.71449
   D52       -2.61406   0.00022   0.00568   0.02275   0.02847  -2.58558
   D53       -0.49460   0.00017   0.00582   0.02401   0.02984  -0.46476
   D54        1.55438   0.00020   0.00600   0.02387   0.02989   1.58427
   D55       -0.87818   0.00073   0.00754  -0.00375   0.00379  -0.87439
   D56        1.24770   0.00053   0.00772  -0.00272   0.00500   1.25270
   D57       -3.01385   0.00060   0.00725  -0.00257   0.00468  -3.00917
   D58        1.32241  -0.00009   0.00701  -0.00544   0.00157   1.32398
   D59       -2.83489  -0.00030   0.00719  -0.00442   0.00277  -2.83212
   D60       -0.81325  -0.00023   0.00673  -0.00427   0.00246  -0.81079
   D61       -2.94108   0.00021   0.00674  -0.00610   0.00063  -2.94045
   D62       -0.81520   0.00001   0.00692  -0.00508   0.00184  -0.81336
   D63        1.20644   0.00008   0.00645  -0.00493   0.00152   1.20797
   D64       -1.03992   0.00035  -0.00128  -0.00529  -0.00658  -1.04650
   D65        1.10711   0.00005  -0.00223  -0.00695  -0.00918   1.09793
   D66        3.13976   0.00024  -0.00191  -0.00589  -0.00780   3.13196
   D67        3.01696  -0.00001  -0.00224  -0.00553  -0.00777   3.00919
   D68       -1.11919  -0.00031  -0.00318  -0.00719  -0.01038  -1.12957
   D69        0.91346  -0.00012  -0.00286  -0.00614  -0.00900   0.90446
   D70        1.01675   0.00007  -0.00136  -0.00687  -0.00823   1.00853
   D71       -3.11940  -0.00023  -0.00230  -0.00853  -0.01083  -3.13023
   D72       -1.08675  -0.00003  -0.00198  -0.00747  -0.00945  -1.09620
   D73        3.04944  -0.00015  -0.00350   0.00196  -0.00154   3.04790
   D74        0.93553  -0.00015  -0.00342   0.00137  -0.00205   0.93347
   D75       -1.16972  -0.00029  -0.00351  -0.00033  -0.00385  -1.17356
   D76       -1.07355   0.00041  -0.00234   0.00288   0.00053  -1.07302
   D77        3.09572   0.00042  -0.00227   0.00229   0.00002   3.09574
   D78        0.99048   0.00027  -0.00236   0.00059  -0.00177   0.98871
   D79        0.98093  -0.00002  -0.00218   0.00273   0.00055   0.98148
   D80       -1.13298  -0.00001  -0.00210   0.00214   0.00004  -1.13294
   D81        3.04496  -0.00016  -0.00220   0.00044  -0.00175   3.04321
   D82        1.73382  -0.00029  -0.00253  -0.02427  -0.02681   1.70701
   D83       -1.33842  -0.00030   0.00015  -0.02383  -0.02369  -1.36212
   D84       -0.47475  -0.00006  -0.00241  -0.02242  -0.02484  -0.49958
   D85        2.73620  -0.00007   0.00027  -0.02198  -0.02172   2.71448
   D86       -2.51057   0.00020  -0.00264  -0.01999  -0.02261  -2.53319
   D87        0.70037   0.00019   0.00004  -0.01955  -0.01950   0.68087
   D88        1.75345  -0.00014   0.00341   0.00217   0.00558   1.75903
   D89       -2.44529  -0.00002   0.00327   0.00484   0.00811  -2.43718
   D90       -0.34280   0.00006   0.00304   0.00457   0.00761  -0.33519
   D91       -0.36486  -0.00005   0.00318   0.00109   0.00428  -0.36058
   D92        1.71959   0.00007   0.00304   0.00376   0.00680   1.72639
   D93       -2.46110   0.00015   0.00281   0.00349   0.00630  -2.45480
   D94       -2.42103  -0.00003   0.00366   0.00033   0.00399  -2.41704
   D95       -0.33659   0.00008   0.00353   0.00300   0.00652  -0.33006
   D96        1.76591   0.00017   0.00330   0.00273   0.00602   1.77193
   D97       -1.18335  -0.00021   0.00313   0.00398   0.00711  -1.17624
   D98        0.98799  -0.00005   0.00329   0.00337   0.00667   0.99466
   D99        3.04541  -0.00024   0.00350   0.00227   0.00577   3.05118
   D100       2.95599   0.00022   0.00275   0.00141   0.00416   2.96015
   D101      -1.15586   0.00038   0.00291   0.00080   0.00371  -1.15214
   D102       0.90155   0.00019   0.00312  -0.00030   0.00282   0.90437
   D103       0.84045   0.00003   0.00251   0.00179   0.00430   0.84475
   D104       3.01179   0.00019   0.00267   0.00118   0.00386   3.01564
   D105      -1.21398   0.00000   0.00288   0.00008   0.00296  -1.21102
   D106      -1.05771  -0.00012  -0.00084  -0.00182  -0.00266  -1.06037
   D107       3.13688  -0.00013  -0.00084  -0.00201  -0.00285   3.13402
   D108       1.05203  -0.00014  -0.00085  -0.00216  -0.00302   1.04902
   D109       1.07317   0.00002  -0.00088  -0.00125  -0.00213   1.07104
   D110      -1.01543   0.00001  -0.00089  -0.00144  -0.00233  -1.01776
   D111      -3.10028   0.00000  -0.00090  -0.00159  -0.00249  -3.10277
   D112      -3.12369   0.00011  -0.00114   0.00215   0.00101  -3.12269
   D113       1.07089   0.00009  -0.00115   0.00196   0.00081   1.07170
   D114      -1.01395   0.00009  -0.00116   0.00181   0.00065  -1.01330
   D115       0.91741  -0.00012  -0.00145  -0.00324  -0.00469   0.91273
   D116      -1.18790  -0.00015  -0.00142  -0.00324  -0.00466  -1.19256
   D117       3.00574  -0.00014  -0.00147  -0.00310  -0.00457   3.00117
   D118      -1.19257   0.00013  -0.00129  -0.00126  -0.00255  -1.19512
   D119       2.98530   0.00011  -0.00126  -0.00126  -0.00252   2.98277
   D120       0.89576   0.00011  -0.00131  -0.00112  -0.00244   0.89332
   D121       3.01461   0.00000  -0.00104  -0.00389  -0.00493   3.00968
   D122       0.90929  -0.00003  -0.00101  -0.00389  -0.00490   0.90439
   D123      -1.18025  -0.00003  -0.00106  -0.00375  -0.00481  -1.18506
   D124      -1.08335  -0.00014  -0.00382   0.01441   0.01058  -1.07277
   D125       1.07338  -0.00008  -0.00350   0.01414   0.01064   1.08402
   D126       3.09555  -0.00012  -0.00377   0.01511   0.01134   3.10689
   D127       3.02631  -0.00002  -0.00434   0.01570   0.01136   3.03767
   D128      -1.10014   0.00004  -0.00402   0.01543   0.01141  -1.08873
   D129       0.92202  -0.00001  -0.00429   0.01640   0.01212   0.93414
   D130       0.98855   0.00007  -0.00453   0.01679   0.01226   1.00081
   D131      -3.13790   0.00013  -0.00421   0.01652   0.01232  -3.12558
   D132      -1.11574   0.00009  -0.00448   0.01750   0.01302  -1.10272
   D133      -1.51812  -0.00042  -0.01546   0.01193  -0.00354  -1.52166
   D134       1.64069  -0.00064  -0.01573   0.00568  -0.01004   1.63065
   D135       2.61809   0.00024  -0.01436   0.01395  -0.00041   2.61768
   D136      -0.50628   0.00002  -0.01463   0.00771  -0.00691  -0.51319
   D137       0.56270  -0.00007  -0.01485   0.01291  -0.00195   0.56075
   D138      -2.56167  -0.00028  -0.01512   0.00666  -0.00845  -2.57012
   D139       0.74204  -0.00003  -0.00361   0.00454   0.00092   0.74296
   D140       2.83798   0.00001  -0.00360   0.00444   0.00083   2.83881
   D141      -1.38653   0.00006  -0.00355   0.00461   0.00106  -1.38547
   D142      -1.36015  -0.00002  -0.00283   0.00675   0.00391  -1.35624
   D143       0.73579   0.00002  -0.00282   0.00665   0.00382   0.73961
   D144       2.79447   0.00007  -0.00276   0.00682   0.00405   2.79852
   D145       2.87710  -0.00006  -0.00242   0.00489   0.00247   2.87957
   D146      -1.31015  -0.00002  -0.00242   0.00479   0.00239  -1.30777
   D147       0.74853   0.00003  -0.00236   0.00496   0.00261   0.75114
   D148      -0.84605   0.00011   0.00006  -0.00120  -0.00115  -0.84720
   D149      -2.96004   0.00000  -0.00024  -0.00314  -0.00338  -2.96342
   D150       1.26937   0.00001  -0.00043  -0.00295  -0.00338   1.26599
   D151      -2.93923   0.00005  -0.00011  -0.00120  -0.00133  -2.94056
   D152       1.22997  -0.00006  -0.00042  -0.00315  -0.00356   1.22641
   D153      -0.82380  -0.00005  -0.00061  -0.00296  -0.00356  -0.82736
   D154       1.27871   0.00018  -0.00043  -0.00068  -0.00111   1.27760
   D155      -0.83527   0.00007  -0.00073  -0.00262  -0.00335  -0.83862
   D156      -2.88905   0.00008  -0.00092  -0.00243  -0.00335  -2.89239
   D157      -1.17895   0.00003   0.00340  -0.00968  -0.00627  -1.18523
   D158       1.97933   0.00006   0.00384  -0.00976  -0.00592   1.97341
   D159       2.96208  -0.00001   0.00287  -0.00850  -0.00563   2.95646
   D160      -0.16282   0.00002   0.00330  -0.00858  -0.00527  -0.16810
   D161       0.90807  -0.00010   0.00314  -0.01024  -0.00710   0.90097
   D162      -2.21684  -0.00007   0.00357  -0.01032  -0.00674  -2.22358
   D163      -3.12790  -0.00008   0.00043  -0.00399  -0.00356  -3.13146
   D164       0.01341  -0.00013   0.00012  -0.00469  -0.00457   0.00884
   D165      -0.00328   0.00012   0.00069   0.00215   0.00284  -0.00044
   D166       3.13803   0.00007   0.00038   0.00146   0.00184   3.13987
   D167       3.12735   0.00015  -0.00041   0.00568   0.00526   3.13261
   D168      -0.00908  -0.00017  -0.00194   0.00174  -0.00020  -0.00928
   D169       0.00286  -0.00006  -0.00067  -0.00053  -0.00120   0.00166
   D170      -3.13358  -0.00039  -0.00220  -0.00446  -0.00666  -3.14024
   D171      -3.12629   0.00002   0.00017   0.00069   0.00086  -3.12543
   D172       0.01971   0.00003  -0.00014   0.00165   0.00151   0.02122
   D173      -0.00118   0.00000  -0.00026   0.00077   0.00051  -0.00067
   D174      -3.13837   0.00001  -0.00057   0.00173   0.00116  -3.13720
   D175       3.12413  -0.00002  -0.00024  -0.00053  -0.00077   3.12336
   D176      -0.01707  -0.00001  -0.00014  -0.00062  -0.00077  -0.01784
   D177      -0.00097   0.00000   0.00019  -0.00061  -0.00042  -0.00139
   D178       3.14102   0.00002   0.00029  -0.00070  -0.00041   3.14060
   D179       2.78366  -0.00005   0.00305  -0.01150  -0.00845   2.77522
   D180       0.73663  -0.00001   0.00373  -0.01239  -0.00866   0.72797
   D181      -1.34206  -0.00001   0.00393  -0.01284  -0.00891  -1.35096
   D182      -0.41219  -0.00009  -0.00038  -0.00613  -0.00651  -0.41869
   D183      -2.45922  -0.00005   0.00030  -0.00702  -0.00672  -2.46594
   D184       1.74528  -0.00005   0.00050  -0.00747  -0.00697   1.73831
   D185       0.00173  -0.00008  -0.00021  -0.00205  -0.00226  -0.00052
   D186      -3.14126  -0.00005  -0.00016  -0.00094  -0.00110   3.14082
   D187      -3.13958  -0.00003   0.00010  -0.00135  -0.00125  -3.14083
   D188       0.00061   0.00001   0.00015  -0.00025  -0.00009   0.00051
   D189      -0.00090  -0.00003   0.00017  -0.00120  -0.00104  -0.00193
   D190      -3.14110  -0.00014  -0.00017  -0.00318  -0.00335   3.13873
   D191       3.13558   0.00029   0.00168   0.00269   0.00438   3.13996
   D192      -0.00462   0.00018   0.00134   0.00072   0.00206  -0.00256
   D193       0.00237   0.00000   0.00014  -0.00038  -0.00024   0.00213
   D194      -3.13766  -0.00001   0.00005  -0.00031  -0.00026  -3.13792
   D195       3.13954  -0.00001   0.00045  -0.00135  -0.00090   3.13865
   D196      -0.00049  -0.00001   0.00036  -0.00128  -0.00091  -0.00141
   D197       0.00194   0.00000   0.00001   0.00005   0.00006   0.00200
   D198      -3.13995   0.00001   0.00005   0.00009   0.00014  -3.13981
   D199      -3.14005  -0.00002  -0.00009   0.00014   0.00005  -3.13999
   D200       0.00125  -0.00001  -0.00004   0.00018   0.00013   0.00138
   D201       0.00026  -0.00002  -0.00030   0.00030   0.00000   0.00026
   D202       3.13900   0.00009   0.00005   0.00246   0.00251   3.14151
   D203      -3.13992  -0.00005  -0.00035  -0.00081  -0.00116  -3.14108
   D204      -0.00119   0.00005   0.00001   0.00135   0.00135   0.00017
   D205      -0.00068   0.00007   0.00032   0.00132   0.00164   0.00096
   D206      -3.13942  -0.00003  -0.00003  -0.00083  -0.00087  -3.14028
   D207       3.13952   0.00019   0.00066   0.00331   0.00397  -3.13970
   D208       0.00078   0.00008   0.00031   0.00115   0.00146   0.00224
   D209      -0.00140   0.00000   0.00006  -0.00018  -0.00012  -0.00152
   D210       3.14109  -0.00001   0.00002  -0.00038  -0.00035   3.14074
   D211       3.13863   0.00001   0.00015  -0.00025  -0.00010   3.13853
   D212      -0.00206  -0.00001   0.00012  -0.00045  -0.00033  -0.00239
   D213      -0.00075   0.00000  -0.00013   0.00035   0.00021  -0.00054
   D214       3.13994   0.00001  -0.00010   0.00054   0.00044   3.14039
   D215       3.14114  -0.00001  -0.00018   0.00031   0.00013   3.14128
   D216      -0.00135   0.00001  -0.00014   0.00051   0.00036  -0.00099
   D217      -3.05122  -0.00008   0.00007  -0.00188  -0.00181  -3.05303
   D218       0.08068  -0.00008  -0.00049  -0.00066  -0.00115   0.07953
   D219      -0.00853  -0.00002  -0.00014  -0.00063  -0.00077  -0.00930
   D220       3.12337  -0.00002  -0.00069   0.00058  -0.00011   3.12326
   D221       3.05427   0.00006  -0.00023   0.00190   0.00168   3.05595
   D222      -0.08163   0.00005  -0.00061   0.00261   0.00200  -0.07963
   D223       0.01475   0.00002  -0.00003   0.00089   0.00085   0.01560
   D224      -3.12115   0.00001  -0.00042   0.00159   0.00118  -3.11997
   D225      -0.00397   0.00001   0.00021  -0.00005   0.00016  -0.00382
   D226       3.14022  -0.00002   0.00001   0.00002   0.00003   3.14026
   D227      -3.13592   0.00000   0.00076  -0.00126  -0.00049  -3.13641
   D228       0.00828  -0.00002   0.00057  -0.00119  -0.00062   0.00766
   D229      -2.93467   0.00003  -0.00122   0.01488   0.01366  -2.92101
   D230       1.25321   0.00002  -0.00125   0.01509   0.01383   1.26704
   D231      -0.83313   0.00002  -0.00151   0.01559   0.01408  -0.81905
   D232       0.19703   0.00003  -0.00179   0.01612   0.01433   0.21136
   D233      -1.89827   0.00002  -0.00182   0.01633   0.01451  -1.88377
   D234       2.29857   0.00002  -0.00207   0.01683   0.01475   2.31332
   D235      -0.00861  -0.00001   0.00013  -0.00047  -0.00033  -0.00894
   D236       3.13922  -0.00002  -0.00005   0.00009   0.00004   3.13925
   D237       3.12735   0.00000   0.00051  -0.00116  -0.00065   3.12670
   D238      -0.00801  -0.00001   0.00032  -0.00060  -0.00028  -0.00829
   D239       2.83218  -0.00001   0.00204  -0.00441  -0.00237   2.82981
   D240       0.72896   0.00003   0.00183  -0.00364  -0.00181   0.72715
   D241      -1.35621  -0.00002   0.00212  -0.00477  -0.00265  -1.35886
   D242      -0.30362  -0.00002   0.00165  -0.00369  -0.00204  -0.30566
   D243      -2.40684   0.00002   0.00145  -0.00292  -0.00148  -2.40832
   D244       1.79118  -0.00003   0.00173  -0.00405  -0.00232   1.78886
   D245       0.01001   0.00001  -0.00011   0.00046   0.00035   0.01036
   D246      -3.13526   0.00000  -0.00015   0.00031   0.00016  -3.13510
   D247      -3.13420   0.00003   0.00009   0.00038   0.00047  -3.13373
   D248       0.00372   0.00002   0.00004   0.00024   0.00028   0.00400
   D249      -0.00356  -0.00001  -0.00006  -0.00019  -0.00026  -0.00381
   D250      -3.14147   0.00001  -0.00002  -0.00005  -0.00007  -3.14155
   D251       3.13177   0.00000   0.00013  -0.00075  -0.00063   3.13114
   D252      -0.00615   0.00001   0.00017  -0.00061  -0.00044  -0.00659
         Item               Value     Threshold  Converged?
 Maximum Force            0.001424     0.000450     NO 
 RMS     Force            0.000222     0.000300     YES
 Maximum Displacement     0.110700     0.001800     NO 
 RMS     Displacement     0.027078     0.001200     NO 
 Predicted change in Energy=-1.081276D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.105982   -0.051389   -1.509371
      2          8           0       -3.149408    0.113619   -2.514099
      3          8           0       -3.403796   -2.065277    1.461795
      4          8           0        1.940402    1.790490    2.245212
      5          8           0        3.497772   -1.259247    1.270254
      6          7           0       -3.084845   -2.657377   -0.768284
      7          7           0       -3.184572    0.405867   -0.233387
      8          7           0        2.118758    0.864188    0.147539
      9          7           0       -1.669561   -3.489363    1.012659
     10          6           0       -2.699618    1.768126   -0.219873
     11          6           0       -4.102643   -1.700793   -1.160661
     12          6           0       -1.365065    1.976611   -0.958220
     13          6           0       -0.265013    0.999350   -0.563295
     14          6           0       -4.898624   -2.098112   -2.421515
     15          6           0        1.117172    1.713216   -0.454205
     16          6           0       -2.580102    2.311327    1.218364
     17          6           0       -3.461510   -0.298896   -1.376294
     18          6           0       -2.134607   -3.088057   -1.773899
     19          6           0       -0.721755   -3.336217   -1.253289
     20          6           0        1.544720    2.201824   -1.850314
     21          6           0       -2.734541   -2.698275    0.600646
     22          6           0       -6.009283   -1.089235   -2.644226
     23          6           0       -5.489367   -3.485248   -2.284394
     24          6           0       -0.754605   -4.080063    0.079514
     25          6           0       -3.883968    2.308249    1.934234
     26          6           0        2.786228    3.018808   -1.819725
     27          6           0        2.416428    0.917983    1.487681
     28          6           0       -4.749060    3.403444    1.819018
     29          6           0       -4.255490    1.223356    2.737547
     30          6           0        2.786500    4.283366   -1.217456
     31          6           0        3.962972    2.543134   -2.409700
     32          6           0        3.418348   -0.076288    2.072270
     33          6           0       -5.966990    3.413491    2.496108
     34          6           0       -5.475489    1.235747    3.412639
     35          6           0       -6.332499    2.329470    3.294097
     36          6           0        3.944767    5.057551   -1.205445
     37          6           0        5.120376    3.320470   -2.398772
     38          6           0        5.113805    4.578083   -1.796865
     39          6           0        4.793967   -1.731978    1.076306
     40          6           0        5.268473   -1.799378   -0.247418
     41          6           0        5.548975   -2.233422    2.152553
     42          6           0        6.524430   -2.370454   -0.477664
     43          6           0        6.803822   -2.790662    1.885006
     44          6           0        4.455983   -1.289618   -1.374797
     45          6           0        5.035899   -2.185784    3.540500
     46          6           0        7.288108   -2.856359    0.580766
     47          1           0       -3.461433    2.409315   -0.765885
     48          1           0       -4.846932   -1.636259   -0.305926
     49          1           0       -1.555929    1.887479   -2.063436
     50          1           0       -1.035426    3.028857   -0.754380
     51          1           0       -0.507580    0.529556    0.433756
     52          1           0       -4.205002   -2.069091   -3.308364
     53          1           0        0.977358    2.610503    0.222452
     54          1           0       -3.453098    0.012834    0.645831
     55          1           0       -1.824929    1.711059    1.793028
     56          1           0       -2.190798    3.362531    1.149075
     57          1           0       -2.535363   -4.042573   -2.224651
     58          1           0       -2.084126   -2.311357   -2.594096
     59          1           0       -0.162596   -3.951337   -2.002626
     60          1           0       -0.182020   -2.357552   -1.136888
     61          1           0        1.668193    1.315755   -2.529356
     62          1           0        0.703587    2.821406   -2.264236
     63          1           0       -6.710339   -1.072889   -1.775320
     64          1           0       -6.587636   -1.362758   -3.559602
     65          1           0       -5.585943   -0.065283   -2.787558
     66          1           0       -6.071192   -3.572344   -1.335241
     67          1           0       -4.692174   -4.266288   -2.283438
     68          1           0       -6.176784   -3.689256   -3.141410
     69          1           0        0.277860   -4.085692    0.531751
     70          1           0       -1.056345   -5.153170   -0.103992
     71          1           0        2.389152    0.056860   -0.369096
     72          1           0       -1.480201   -3.526724    1.984839
     73          1           0       -0.966767   -0.216817   -1.918142
     74          1           0       -4.463816    4.260633    1.191056
     75          1           0       -3.586730    0.352892    2.841319
     76          1           0        1.866850    4.663078   -0.747760
     77          1           0        3.974366    1.550651   -2.884885
     78          1           0        3.046842   -0.386141    3.086825
     79          1           0        4.409971    0.436251    2.167168
     80          1           0       -6.639804    4.278205    2.400348
     81          1           0       -5.759905    0.377419    4.039399
     82          1           0       -7.293525    2.337600    3.828356
     83          1           0        3.936602    6.047956   -0.727141
     84          1           0        6.040044    2.939419   -2.866224
     85          1           0        6.027130    5.190084   -1.787593
     86          1           0        6.909612   -2.432047   -1.506723
     87          1           0        7.408792   -3.185636    2.715192
     88          1           0        4.873417   -1.623134   -2.356387
     89          1           0        4.438524   -0.169416   -1.362490
     90          1           0        3.402844   -1.659345   -1.291603
     91          1           0        5.594944   -2.893898    4.200035
     92          1           0        3.950678   -2.457994    3.563964
     93          1           0        5.147828   -1.153206    3.958805
     94          1           0        8.276969   -3.297519    0.385907
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0847297      0.0408589      0.0356769
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3236.4055746233 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246282060644     A.U. after   13 cycles
             Convg  =    0.9412D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000257602    0.000557718    0.000114232
      2        8           0.000169983   -0.000339273    0.000042253
      3        8          -0.000117476    0.000373539   -0.000423018
      4        8           0.000112569   -0.000145839    0.000002951
      5        8           0.000130393   -0.000070379   -0.000039450
      6        7          -0.000296605   -0.000612314    0.000629797
      7        7          -0.000176239   -0.000160813    0.000454586
      8        7           0.000178867    0.000177468   -0.000085435
      9        7           0.000188827    0.001099544    0.000518928
     10        6          -0.000162583    0.000132660    0.000692048
     11        6           0.000251830    0.000191629   -0.000056238
     12        6          -0.000102859   -0.000142125   -0.000049717
     13        6          -0.000047229   -0.000494090   -0.000336555
     14        6           0.000048920   -0.000207383   -0.000058981
     15        6          -0.000253053   -0.000076052   -0.000074632
     16        6           0.000150746   -0.000125473   -0.000548040
     17        6           0.000234527    0.000155458   -0.000520488
     18        6          -0.000305104    0.000111359   -0.000090239
     19        6           0.000099344   -0.000058640    0.000138949
     20        6          -0.000221355   -0.000143921    0.000009819
     21        6           0.000038691   -0.000355956   -0.000344099
     22        6          -0.000212375    0.000000256    0.000082671
     23        6          -0.000014173    0.000044568    0.000107015
     24        6           0.000047017   -0.000338336   -0.000124848
     25        6          -0.000415552   -0.000028304   -0.000054350
     26        6           0.000050152   -0.000024264    0.000065302
     27        6          -0.000194872    0.000463590    0.000073746
     28        6          -0.000132063   -0.000015864    0.000011802
     29        6           0.000278944    0.000145474   -0.000101340
     30        6          -0.000053152    0.000017746   -0.000006601
     31        6          -0.000010328    0.000031977   -0.000010041
     32        6           0.000078532   -0.000132168   -0.000115835
     33        6          -0.000016813   -0.000078621    0.000063868
     34        6          -0.000106307    0.000106791   -0.000099369
     35        6           0.000081300    0.000053084    0.000065406
     36        6           0.000001576   -0.000014925   -0.000021929
     37        6           0.000015208   -0.000013962    0.000018597
     38        6           0.000006953   -0.000005802   -0.000021112
     39        6           0.000129333    0.000250087   -0.000170916
     40        6           0.000125677   -0.000073411    0.000052521
     41        6          -0.000507547   -0.000024131    0.000159014
     42        6          -0.000365417    0.000000078   -0.000032797
     43        6           0.000168442   -0.000103412    0.000084345
     44        6           0.000039175    0.000047949    0.000051399
     45        6           0.000019400   -0.000025328   -0.000021399
     46        6           0.000194594    0.000057016   -0.000154400
     47        1          -0.000005500    0.000054823    0.000047157
     48        1          -0.000049861    0.000000526   -0.000127839
     49        1          -0.000065404   -0.000022912   -0.000123524
     50        1           0.000137184   -0.000094680    0.000069062
     51        1           0.000124889    0.000017713   -0.000081820
     52        1          -0.000120196    0.000092467    0.000097073
     53        1           0.000014468   -0.000000378    0.000036040
     54        1           0.000264096    0.000369772   -0.000232393
     55        1           0.000045486   -0.000098038    0.000067164
     56        1           0.000078101    0.000150858   -0.000117010
     57        1           0.000089269   -0.000088036   -0.000056143
     58        1           0.000157170    0.000092886   -0.000062161
     59        1          -0.000008360   -0.000037395    0.000009069
     60        1           0.000201379    0.000066493    0.000028057
     61        1           0.000025472   -0.000041553    0.000007357
     62        1           0.000061366    0.000091273   -0.000061505
     63        1          -0.000007111    0.000018915    0.000005636
     64        1          -0.000013717   -0.000014067    0.000007453
     65        1          -0.000051682    0.000033450    0.000027964
     66        1           0.000028619    0.000052561    0.000000740
     67        1          -0.000027672    0.000075755    0.000046955
     68        1           0.000011843    0.000039561    0.000028673
     69        1           0.000042267   -0.000018101    0.000017815
     70        1          -0.000051107    0.000037165   -0.000062787
     71        1          -0.000090367   -0.000001413   -0.000063326
     72        1          -0.000031063   -0.000404487   -0.000257591
     73        1          -0.000332314   -0.000236090    0.000396416
     74        1           0.000061623    0.000000031   -0.000003768
     75        1           0.000005384   -0.000155131    0.000285099
     76        1           0.000008751    0.000006130    0.000010542
     77        1          -0.000023066   -0.000010260   -0.000001687
     78        1          -0.000069689   -0.000073777    0.000093048
     79        1           0.000073007   -0.000045344    0.000040897
     80        1           0.000024499    0.000002006   -0.000025247
     81        1          -0.000022673   -0.000024762    0.000009165
     82        1           0.000008553   -0.000014647   -0.000015097
     83        1          -0.000003503   -0.000002753    0.000010774
     84        1          -0.000000425    0.000002154   -0.000008092
     85        1          -0.000005586   -0.000004131    0.000007814
     86        1           0.000042146    0.000005229    0.000041774
     87        1          -0.000031613    0.000010262   -0.000050255
     88        1           0.000005829    0.000062430    0.000012515
     89        1           0.000025618   -0.000041177   -0.000033778
     90        1           0.000022556   -0.000068515    0.000046848
     91        1           0.000015378    0.000021599    0.000002207
     92        1           0.000042349   -0.000011857   -0.000006057
     93        1           0.000036138    0.000011279    0.000031084
     94        1          -0.000030030   -0.000013044    0.000028260
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001099544 RMS     0.000176726

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000685688 RMS     0.000132856
 Search for a local minimum.
 Step number  21 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   17   18   19   20   21
 DE= -1.59D-04 DEPred=-1.08D-04 R= 1.47D+00
 SS=  1.41D+00  RLast= 1.81D-01 DXNew= 1.2163D+00 5.4255D-01
 Trust test= 1.47D+00 RLast= 1.81D-01 DXMaxT set to 7.23D-01
     Eigenvalues ---    0.00130   0.00170   0.00230   0.00232   0.00235
     Eigenvalues ---    0.00243   0.00305   0.00321   0.00326   0.00387
     Eigenvalues ---    0.00400   0.00461   0.00484   0.00486   0.00543
     Eigenvalues ---    0.00613   0.00680   0.00732   0.01114   0.01246
     Eigenvalues ---    0.01306   0.01329   0.01382   0.01396   0.01438
     Eigenvalues ---    0.01443   0.01485   0.01519   0.01566   0.01662
     Eigenvalues ---    0.01993   0.02019   0.02075   0.02107   0.02120
     Eigenvalues ---    0.02140   0.02144   0.02149   0.02153   0.02160
     Eigenvalues ---    0.02166   0.02171   0.02172   0.02172   0.02176
     Eigenvalues ---    0.02177   0.02179   0.02180   0.02181   0.02186
     Eigenvalues ---    0.02187   0.02188   0.02214   0.02260   0.02293
     Eigenvalues ---    0.02367   0.02703   0.02986   0.03111   0.03473
     Eigenvalues ---    0.03692   0.03754   0.03916   0.03971   0.03999
     Eigenvalues ---    0.04202   0.04330   0.04387   0.04554   0.04705
     Eigenvalues ---    0.04808   0.04831   0.04979   0.05030   0.05061
     Eigenvalues ---    0.05188   0.05382   0.05420   0.05433   0.05474
     Eigenvalues ---    0.05590   0.05618   0.05622   0.05664   0.05734
     Eigenvalues ---    0.05923   0.05964   0.06751   0.06784   0.07107
     Eigenvalues ---    0.07110   0.07220   0.07258   0.07374   0.07527
     Eigenvalues ---    0.07833   0.08049   0.08294   0.08619   0.09213
     Eigenvalues ---    0.09320   0.09387   0.09775   0.11031   0.11581
     Eigenvalues ---    0.12189   0.12471   0.12789   0.12891   0.14056
     Eigenvalues ---    0.15521   0.15703   0.15873   0.15908   0.15961
     Eigenvalues ---    0.15990   0.15998   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16002   0.16004   0.16005   0.16008   0.16015
     Eigenvalues ---    0.16035   0.16059   0.16171   0.16277   0.16461
     Eigenvalues ---    0.16724   0.17288   0.17520   0.18587   0.18832
     Eigenvalues ---    0.19416   0.19927   0.20525   0.20724   0.21412
     Eigenvalues ---    0.21832   0.21921   0.22000   0.22000   0.22002
     Eigenvalues ---    0.22012   0.22100   0.22487   0.22843   0.23176
     Eigenvalues ---    0.23406   0.23483   0.23517   0.23649   0.23827
     Eigenvalues ---    0.24622   0.24773   0.24875   0.24970   0.24999
     Eigenvalues ---    0.25015   0.25118   0.25310   0.25648   0.25872
     Eigenvalues ---    0.26861   0.27102   0.27402   0.27651   0.27809
     Eigenvalues ---    0.28287   0.28448   0.28564   0.29137   0.29676
     Eigenvalues ---    0.29943   0.30259   0.30835   0.31364   0.31757
     Eigenvalues ---    0.32162   0.32802   0.33407   0.33878   0.34438
     Eigenvalues ---    0.34461   0.34504   0.34576   0.34613   0.34637
     Eigenvalues ---    0.34669   0.34700   0.34701   0.34727   0.34732
     Eigenvalues ---    0.34740   0.34749   0.34752   0.34757   0.34764
     Eigenvalues ---    0.34778   0.34788   0.34791   0.34803   0.34809
     Eigenvalues ---    0.34821   0.34831   0.34840   0.34846   0.34870
     Eigenvalues ---    0.34894   0.34913   0.35001   0.35306   0.35823
     Eigenvalues ---    0.35887   0.35916   0.35944   0.35963   0.35968
     Eigenvalues ---    0.35984   0.35993   0.35998   0.36006   0.36026
     Eigenvalues ---    0.36034   0.36063   0.36177   0.37325   0.38778
     Eigenvalues ---    0.39534   0.40338   0.41175   0.42232   0.42273
     Eigenvalues ---    0.42353   0.42569   0.42640   0.44152   0.44880
     Eigenvalues ---    0.45694   0.46026   0.46080   0.46128   0.46170
     Eigenvalues ---    0.46219   0.46249   0.46350   0.46431   0.46709
     Eigenvalues ---    0.46764   0.46789   0.46934   0.47224   0.48132
     Eigenvalues ---    0.49512   0.50774   0.52974   0.55227   0.56539
     Eigenvalues ---    0.58301   0.65351   0.90148   0.90468   0.93713
     Eigenvalues ---    0.975481000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    21   20   19   18   17
 RFO step:  Lambda=-2.89241159D-05.
 DIIS coeffs:      1.34091     -0.29362      0.12908     -0.22257      0.04620
 Iteration  1 RMS(Cart)=  0.06984860 RMS(Int)=  0.00087875
 Iteration  2 RMS(Cart)=  0.00192746 RMS(Int)=  0.00006939
 Iteration  3 RMS(Cart)=  0.00000147 RMS(Int)=  0.00006939
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00006939
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68873   0.00045  -0.00049   0.00041  -0.00008   2.68865
    R2        1.82768   0.00033   0.00022   0.00057   0.00080   1.82847
    R3        2.36191   0.00024   0.00030   0.00078   0.00108   2.36299
    R4        2.38298   0.00054  -0.00031  -0.00022  -0.00053   2.38245
    R5        2.36157  -0.00009   0.00004   0.00005   0.00010   2.36167
    R6        2.70497   0.00003  -0.00017  -0.00016  -0.00034   2.70463
    R7        2.63291  -0.00011  -0.00015  -0.00045  -0.00059   2.63231
    R8        2.74168   0.00005   0.00091  -0.00096  -0.00004   2.74164
    R9        2.73828  -0.00003   0.00128   0.00137   0.00260   2.74087
   R10        2.67138   0.00069   0.00108   0.00414   0.00524   2.67662
   R11        2.73267   0.00020   0.00000   0.00081   0.00082   2.73349
   R12        2.59080  -0.00042  -0.00036  -0.00201  -0.00237   2.58843
   R13        1.88935   0.00050   0.00026   0.00056   0.00082   1.89017
   R14        2.72941   0.00017   0.00004   0.00071   0.00075   2.73015
   R15        2.59621  -0.00002   0.00024   0.00057   0.00082   2.59703
   R16        1.88196  -0.00010   0.00007   0.00001   0.00009   1.88205
   R17        2.62513   0.00019   0.00002   0.00096   0.00106   2.62619
   R18        2.71018   0.00014   0.00004   0.00136   0.00146   2.71164
   R19        1.87301   0.00004   0.00013   0.00042   0.00056   1.87357
   R20        2.90898   0.00017  -0.00057   0.00021  -0.00037   2.90862
   R21        2.91403   0.00043  -0.00120   0.00411   0.00291   2.91693
   R22        2.14600   0.00001   0.00009   0.00026   0.00035   2.14635
   R23        2.91606   0.00048   0.00043   0.00160   0.00203   2.91809
   R24        2.94146   0.00017   0.00049  -0.00152  -0.00103   2.94044
   R25        2.14524   0.00008  -0.00020  -0.00032  -0.00052   2.14472
   R26        2.87904  -0.00023  -0.00035   0.00022  -0.00012   2.87892
   R27        2.12615  -0.00008  -0.00002  -0.00055  -0.00058   2.12557
   R28        2.11905  -0.00004  -0.00023   0.00001  -0.00022   2.11883
   R29        2.94697  -0.00012  -0.00007   0.00061   0.00054   2.94750
   R30        2.13268   0.00010  -0.00005   0.00007   0.00002   2.13270
   R31        2.86653   0.00027  -0.00002   0.00079   0.00078   2.86731
   R32        2.86088   0.00026  -0.00048   0.00014  -0.00034   2.86054
   R33        2.12832  -0.00005   0.00018  -0.00004   0.00014   2.12846
   R34        2.90960   0.00013  -0.00031   0.00039   0.00008   2.90968
   R35        2.14010  -0.00004  -0.00011  -0.00045  -0.00056   2.13954
   R36        2.81090   0.00007  -0.00018   0.00144   0.00126   2.81216
   R37        2.12193   0.00002  -0.00025  -0.00014  -0.00039   2.12153
   R38        2.12238  -0.00008   0.00001  -0.00044  -0.00043   2.12195
   R39        2.88378   0.00021  -0.00042  -0.00003  -0.00051   2.88327
   R40        2.13370  -0.00008   0.00004  -0.00035  -0.00031   2.13339
   R41        2.13676  -0.00018  -0.00014  -0.00085  -0.00099   2.13577
   R42        2.88500   0.00001  -0.00015   0.00066   0.00049   2.88550
   R43        2.11492   0.00002  -0.00004  -0.00018  -0.00022   2.11470
   R44        2.12344  -0.00010  -0.00009  -0.00045  -0.00055   2.12289
   R45        2.80912  -0.00001   0.00013   0.00002   0.00015   2.80926
   R46        2.12244   0.00001  -0.00009  -0.00015  -0.00024   2.12220
   R47        2.12350  -0.00007   0.00000  -0.00030  -0.00030   2.12320
   R48        2.11002   0.00001  -0.00009  -0.00010  -0.00020   2.10983
   R49        2.11043   0.00001  -0.00012  -0.00016  -0.00028   2.11015
   R50        2.11129  -0.00002  -0.00001  -0.00013  -0.00014   2.11115
   R51        2.11024   0.00004  -0.00011  -0.00006  -0.00017   2.11007
   R52        2.10901  -0.00002   0.00001   0.00005   0.00006   2.10906
   R53        2.11163   0.00002  -0.00001   0.00003   0.00002   2.11164
   R54        2.13006   0.00003  -0.00018  -0.00043  -0.00061   2.12945
   R55        2.13487  -0.00004  -0.00001  -0.00019  -0.00020   2.13467
   R56        2.64637  -0.00003   0.00004  -0.00001   0.00003   2.64640
   R57        2.64584   0.00009  -0.00040   0.00027  -0.00012   2.64572
   R58        2.64685   0.00002   0.00000  -0.00004  -0.00004   2.64681
   R59        2.64498  -0.00003   0.00004  -0.00005  -0.00001   2.64498
   R60        2.88712   0.00012  -0.00004   0.00063   0.00059   2.88771
   R61        2.63337  -0.00004  -0.00003  -0.00010  -0.00013   2.63325
   R62        2.07911  -0.00003   0.00000  -0.00013  -0.00014   2.07897
   R63        2.63500   0.00009   0.00004   0.00028   0.00032   2.63532
   R64        2.08360   0.00007  -0.00006   0.00005  -0.00001   2.08359
   R65        2.63282   0.00002   0.00000   0.00009   0.00008   2.63291
   R66        2.07917  -0.00001  -0.00004  -0.00013  -0.00018   2.07900
   R67        2.63477   0.00002  -0.00004  -0.00001  -0.00005   2.63472
   R68        2.07952  -0.00001  -0.00004  -0.00014  -0.00018   2.07933
   R69        2.12403  -0.00012  -0.00019  -0.00075  -0.00094   2.12309
   R70        2.11701   0.00004   0.00011   0.00035   0.00046   2.11747
   R71        2.63580   0.00012   0.00004   0.00030   0.00034   2.63614
   R72        2.07834  -0.00002  -0.00002  -0.00009  -0.00011   2.07823
   R73        2.63530  -0.00002   0.00005  -0.00005   0.00000   2.63530
   R74        2.07908  -0.00003   0.00000  -0.00010  -0.00010   2.07898
   R75        2.07790  -0.00001  -0.00004  -0.00011  -0.00015   2.07775
   R76        2.63637   0.00001  -0.00001   0.00004   0.00002   2.63639
   R77        2.07848  -0.00001  -0.00003  -0.00009  -0.00012   2.07836
   R78        2.63475   0.00002   0.00001   0.00013   0.00015   2.63489
   R79        2.07827   0.00000  -0.00002  -0.00008  -0.00011   2.07816
   R80        2.07766   0.00000  -0.00004  -0.00009  -0.00013   2.07754
   R81        2.66039   0.00013   0.00017   0.00031   0.00048   2.66087
   R82        2.65894  -0.00026  -0.00023  -0.00097  -0.00119   2.65774
   R83        2.64330  -0.00016  -0.00007  -0.00056  -0.00063   2.64267
   R84        2.79716  -0.00004   0.00023   0.00000   0.00023   2.79739
   R85        2.64342   0.00014   0.00006   0.00035   0.00041   2.64383
   R86        2.79776  -0.00001   0.00007   0.00007   0.00014   2.79790
   R87        2.63180   0.00013   0.00000   0.00026   0.00026   2.63206
   R88        2.07966   0.00003  -0.00005  -0.00004  -0.00008   2.07958
   R89        2.63201  -0.00011  -0.00005  -0.00026  -0.00031   2.63170
   R90        2.07973   0.00000   0.00002   0.00001   0.00003   2.07976
   R91        2.11193  -0.00002  -0.00012  -0.00031  -0.00043   2.11150
   R92        2.11726   0.00002   0.00005   0.00004   0.00009   2.11735
   R93        2.11508  -0.00006   0.00003  -0.00018  -0.00015   2.11493
   R94        2.11189   0.00002   0.00001   0.00004   0.00005   2.11193
   R95        2.11477  -0.00003  -0.00004  -0.00023  -0.00027   2.11450
   R96        2.11592  -0.00004  -0.00006  -0.00030  -0.00035   2.11557
   R97        2.07908  -0.00001   0.00001  -0.00004  -0.00003   2.07905
    A1        1.88375   0.00030   0.00046   0.00533   0.00579   1.88954
    A2        1.99327  -0.00015   0.00017   0.00030   0.00048   1.99375
    A3        2.05818   0.00053  -0.00244  -0.00301  -0.00583   2.05236
    A4        2.04296  -0.00033  -0.00265  -0.00086  -0.00391   2.03905
    A5        2.09548  -0.00014  -0.00302  -0.00380  -0.00711   2.08837
    A6        2.16493   0.00015   0.00239   0.00454   0.00692   2.17185
    A7        2.04000  -0.00016  -0.00156  -0.00191  -0.00348   2.03652
    A8        2.06776   0.00000  -0.00056  -0.00184  -0.00242   2.06535
    A9        2.13368   0.00018  -0.00052   0.00049  -0.00005   2.13364
   A10        2.03608  -0.00012  -0.00046  -0.00104  -0.00151   2.03457
   A11        2.07026  -0.00004  -0.00071  -0.00042  -0.00115   2.06911
   A12        2.13018   0.00001  -0.00106  -0.00144  -0.00309   2.12710
   A13        2.04749   0.00000  -0.00073  -0.00303  -0.00465   2.04284
   A14        2.09531  -0.00004  -0.00027  -0.00217  -0.00336   2.09195
   A15        1.99747   0.00043   0.00081   0.00301   0.00383   2.00129
   A16        1.94610  -0.00053  -0.00223   0.00049  -0.00176   1.94434
   A17        1.87804   0.00004   0.00073  -0.00253  -0.00181   1.87622
   A18        1.90970   0.00015   0.00047   0.00073   0.00120   1.91090
   A19        1.84887  -0.00025   0.00086  -0.00116  -0.00030   1.84857
   A20        1.87711   0.00018  -0.00054  -0.00094  -0.00148   1.87562
   A21        1.99663   0.00006  -0.00012  -0.00167  -0.00178   1.99485
   A22        1.92020   0.00030   0.00150   0.00516   0.00666   1.92686
   A23        1.86900  -0.00015  -0.00107  -0.00164  -0.00272   1.86628
   A24        1.90834  -0.00014  -0.00035  -0.00405  -0.00440   1.90394
   A25        1.86674   0.00002  -0.00083   0.00117   0.00034   1.86708
   A26        1.89986  -0.00011   0.00085   0.00111   0.00195   1.90181
   A27        1.99849   0.00010  -0.00112   0.00096  -0.00016   1.99833
   A28        1.88953  -0.00008   0.00053   0.00044   0.00097   1.89050
   A29        1.86999   0.00011  -0.00001  -0.00015  -0.00016   1.86983
   A30        1.90319  -0.00004   0.00017   0.00175   0.00192   1.90511
   A31        1.92042  -0.00007   0.00052  -0.00178  -0.00126   1.91916
   A32        1.87840  -0.00002  -0.00005  -0.00138  -0.00143   1.87696
   A33        1.96281  -0.00024   0.00082   0.00471   0.00552   1.96833
   A34        1.86033   0.00029   0.00066   0.00293   0.00358   1.86391
   A35        1.87974  -0.00003  -0.00136  -0.00399  -0.00534   1.87440
   A36        1.94385  -0.00009  -0.00029  -0.00157  -0.00188   1.94198
   A37        1.91861   0.00011   0.00009  -0.00063  -0.00054   1.91807
   A38        1.89574  -0.00004   0.00004  -0.00163  -0.00159   1.89415
   A39        1.90329   0.00014  -0.00074  -0.00090  -0.00164   1.90165
   A40        1.94249   0.00001   0.00033   0.00177   0.00210   1.94458
   A41        1.89556   0.00003  -0.00043  -0.00114  -0.00157   1.89399
   A42        1.91451  -0.00015  -0.00002   0.00140   0.00138   1.91589
   A43        1.89461  -0.00004   0.00036  -0.00066  -0.00030   1.89431
   A44        1.91266   0.00001   0.00049  -0.00055  -0.00006   1.91260
   A45        1.95485  -0.00012   0.00011  -0.00108  -0.00097   1.95388
   A46        1.95169   0.00023  -0.00007   0.00205   0.00198   1.95367
   A47        1.87804   0.00000   0.00070   0.00111   0.00181   1.87984
   A48        1.90493  -0.00010  -0.00054  -0.00081  -0.00135   1.90358
   A49        1.87032   0.00008  -0.00004  -0.00032  -0.00036   1.86996
   A50        1.90141  -0.00008  -0.00015  -0.00104  -0.00119   1.90022
   A51        1.96081  -0.00037  -0.00208  -0.00079  -0.00287   1.95795
   A52        1.91893  -0.00013  -0.00027   0.00071   0.00044   1.91937
   A53        1.87447   0.00039   0.00109   0.00186   0.00295   1.87742
   A54        1.91996   0.00022  -0.00018   0.00052   0.00034   1.92030
   A55        1.91290   0.00000   0.00125  -0.00107   0.00018   1.91309
   A56        1.87424  -0.00009   0.00034  -0.00125  -0.00091   1.87333
   A57        2.13979  -0.00016   0.00024   0.00089   0.00114   2.14093
   A58        2.12494   0.00015  -0.00058  -0.00188  -0.00246   2.12249
   A59        2.01606   0.00001   0.00032   0.00100   0.00132   2.01738
   A60        2.00282   0.00015   0.00061   0.00118   0.00178   2.00460
   A61        1.87083   0.00003  -0.00139  -0.00405  -0.00546   1.86537
   A62        1.90553  -0.00002   0.00031   0.00170   0.00203   1.90756
   A63        1.90427  -0.00019   0.00029  -0.00044  -0.00013   1.90414
   A64        1.89424  -0.00002  -0.00035   0.00036  -0.00001   1.89423
   A65        1.88279   0.00005   0.00055   0.00125   0.00180   1.88459
   A66        1.93600   0.00000  -0.00045  -0.00130  -0.00173   1.93427
   A67        1.90025  -0.00001   0.00005   0.00043   0.00046   1.90071
   A68        1.91603   0.00012   0.00016   0.00104   0.00121   1.91723
   A69        1.90443   0.00004  -0.00001   0.00050   0.00050   1.90493
   A70        1.92224  -0.00012   0.00031   0.00006   0.00033   1.92258
   A71        1.88396  -0.00003  -0.00004  -0.00071  -0.00075   1.88321
   A72        1.96889   0.00013   0.00031   0.00167   0.00198   1.97087
   A73        1.90538   0.00001  -0.00062  -0.00089  -0.00151   1.90387
   A74        1.87666  -0.00014  -0.00041  -0.00133  -0.00174   1.87492
   A75        1.93287  -0.00006   0.00020  -0.00018   0.00002   1.93288
   A76        1.90679   0.00001  -0.00023  -0.00110  -0.00132   1.90547
   A77        1.86981   0.00004   0.00076   0.00182   0.00258   1.87239
   A78        2.11211   0.00023  -0.00043   0.00150   0.00094   2.11306
   A79        2.08311  -0.00016   0.00023  -0.00109  -0.00098   2.08213
   A80        2.08710  -0.00007   0.00002  -0.00065  -0.00053   2.08657
   A81        1.93392  -0.00001  -0.00001   0.00040   0.00039   1.93431
   A82        1.91413  -0.00001   0.00009   0.00054   0.00062   1.91475
   A83        1.92938   0.00009   0.00019  -0.00040  -0.00022   1.92916
   A84        1.89260   0.00000  -0.00022  -0.00030  -0.00052   1.89208
   A85        1.90109  -0.00003  -0.00001  -0.00013  -0.00014   1.90095
   A86        1.89182  -0.00005  -0.00004  -0.00012  -0.00016   1.89166
   A87        1.93024   0.00003   0.00001   0.00050   0.00050   1.93075
   A88        1.94183   0.00011   0.00004  -0.00049  -0.00046   1.94137
   A89        1.91544   0.00004  -0.00003   0.00050   0.00046   1.91591
   A90        1.89321  -0.00007  -0.00002  -0.00020  -0.00022   1.89300
   A91        1.89349  -0.00004  -0.00001   0.00001   0.00000   1.89350
   A92        1.88843  -0.00008   0.00002  -0.00033  -0.00031   1.88811
   A93        1.96175   0.00008  -0.00026   0.00138   0.00120   1.96296
   A94        1.90220   0.00005   0.00063   0.00209   0.00267   1.90487
   A95        1.90342  -0.00013  -0.00059  -0.00346  -0.00406   1.89936
   A96        1.91026  -0.00006   0.00020   0.00062   0.00077   1.91103
   A97        1.90366   0.00005   0.00001  -0.00050  -0.00050   1.90317
   A98        1.88081   0.00001   0.00002  -0.00021  -0.00017   1.88064
   A99        2.09473   0.00024   0.00030   0.00023   0.00053   2.09526
   A100       2.10636  -0.00039  -0.00038  -0.00054  -0.00092   2.10544
   A101       2.08205   0.00015   0.00012   0.00029   0.00041   2.08246
   A102       2.10041  -0.00005  -0.00011  -0.00045  -0.00056   2.09986
   A103       2.10216   0.00004   0.00010   0.00029   0.00039   2.10254
   A104       2.08049   0.00001   0.00001   0.00015   0.00016   2.08065
   A105       2.13661   0.00003   0.00004   0.00005   0.00008   2.13669
   A106       2.06261  -0.00011   0.00021  -0.00023  -0.00003   2.06258
   A107       2.08272   0.00007  -0.00036  -0.00022  -0.00060   2.08212
   A108       2.10084  -0.00010  -0.00003  -0.00025  -0.00028   2.10056
   A109       2.08991   0.00000   0.00004  -0.00015  -0.00011   2.08980
   A110       2.09243   0.00010  -0.00001   0.00040   0.00039   2.09282
   A111       2.09793  -0.00008  -0.00001  -0.00011  -0.00012   2.09782
   A112       2.09992  -0.00016  -0.00006  -0.00041  -0.00047   2.09945
   A113       2.08533   0.00024   0.00007   0.00052   0.00058   2.08591
   A114       2.10082   0.00000   0.00000  -0.00006  -0.00006   2.10076
   A115       2.08861  -0.00001  -0.00006  -0.00018  -0.00025   2.08836
   A116       2.09375   0.00002   0.00006   0.00024   0.00030   2.09405
   A117       2.10033   0.00000  -0.00002  -0.00006  -0.00009   2.10024
   A118       2.09120   0.00000  -0.00004  -0.00013  -0.00018   2.09103
   A119       2.09165   0.00000   0.00007   0.00020   0.00026   2.09192
   A120       1.93888   0.00032  -0.00059   0.00050  -0.00009   1.93879
   A121       1.87157  -0.00012   0.00033  -0.00035  -0.00002   1.87155
   A122       1.95676  -0.00012  -0.00003  -0.00019  -0.00022   1.95653
   A123       1.88392  -0.00014   0.00022  -0.00058  -0.00035   1.88356
   A124       1.89141   0.00000  -0.00007   0.00010   0.00003   1.89144
   A125       1.92008   0.00005   0.00016   0.00051   0.00067   1.92076
   A126       2.09602   0.00002  -0.00004   0.00008   0.00004   2.09606
   A127       2.09213   0.00000  -0.00001  -0.00005  -0.00006   2.09207
   A128       2.09504  -0.00002   0.00005  -0.00003   0.00002   2.09506
   A129       2.09845  -0.00005  -0.00001  -0.00021  -0.00021   2.09823
   A130       2.08870   0.00003   0.00001   0.00015   0.00016   2.08886
   A131       2.09604   0.00002   0.00000   0.00005   0.00005   2.09609
   A132       2.09108   0.00006  -0.00003   0.00018   0.00016   2.09124
   A133       2.09585  -0.00004   0.00002  -0.00007  -0.00004   2.09581
   A134       2.09625  -0.00003   0.00000  -0.00012  -0.00012   2.09614
   A135       2.09672  -0.00001  -0.00001  -0.00005  -0.00006   2.09666
   A136       2.09202   0.00000   0.00000  -0.00001  -0.00001   2.09201
   A137       2.09444   0.00000   0.00001   0.00005   0.00007   2.09451
   A138       2.09712   0.00000   0.00001  -0.00002   0.00000   2.09712
   A139       2.09171   0.00001  -0.00001   0.00004   0.00003   2.09174
   A140       2.09435   0.00000   0.00000  -0.00002  -0.00003   2.09433
   A141       2.09089   0.00000   0.00001   0.00004   0.00005   2.09094
   A142       2.09580   0.00000   0.00000   0.00002   0.00002   2.09582
   A143       2.09649   0.00000  -0.00001  -0.00005  -0.00007   2.09643
   A144       2.04958   0.00013  -0.00108  -0.00186  -0.00294   2.04664
   A145       2.11022  -0.00005   0.00099   0.00223   0.00322   2.11344
   A146       2.11916  -0.00007   0.00012  -0.00026  -0.00014   2.11901
   A147       2.06799   0.00003  -0.00005   0.00023   0.00018   2.06816
   A148       2.11140   0.00015  -0.00019   0.00028   0.00009   2.11149
   A149       2.10377  -0.00018   0.00024  -0.00050  -0.00027   2.10350
   A150       2.06806   0.00009  -0.00014   0.00013  -0.00001   2.06805
   A151       2.11724   0.00012   0.00027   0.00141   0.00168   2.11892
   A152       2.09787  -0.00021  -0.00013  -0.00154  -0.00167   2.09619
   A153       2.10564   0.00004  -0.00002   0.00012   0.00010   2.10574
   A154       2.08407   0.00002  -0.00024  -0.00033  -0.00057   2.08351
   A155       2.09347  -0.00005   0.00026   0.00022   0.00047   2.09394
   A156       2.10576  -0.00002   0.00011   0.00020   0.00031   2.10607
   A157       2.08496  -0.00004   0.00008  -0.00018  -0.00010   2.08486
   A158       2.09245   0.00006  -0.00019  -0.00002  -0.00021   2.09224
   A159       1.94031  -0.00002  -0.00008  -0.00051  -0.00058   1.93973
   A160       1.92252  -0.00006  -0.00004  -0.00055  -0.00059   1.92193
   A161       1.92422   0.00007   0.00025   0.00107   0.00132   1.92554
   A162       1.89003   0.00003   0.00000   0.00022   0.00022   1.89025
   A163       1.89458  -0.00006   0.00015  -0.00022  -0.00007   1.89451
   A164       1.89104   0.00003  -0.00030  -0.00002  -0.00031   1.89072
   A165       1.93854   0.00000  -0.00007  -0.00044  -0.00051   1.93803
   A166       1.92612   0.00001   0.00008   0.00035   0.00043   1.92656
   A167       1.92331   0.00001   0.00024   0.00061   0.00085   1.92416
   A168       1.89505  -0.00002  -0.00019  -0.00074  -0.00092   1.89412
   A169       1.89003  -0.00001  -0.00015  -0.00039  -0.00054   1.88950
   A170       1.88959   0.00001   0.00008   0.00060   0.00068   1.89027
   A171       2.09965  -0.00007  -0.00002  -0.00044  -0.00047   2.09918
   A172       2.09226  -0.00001   0.00024   0.00038   0.00063   2.09289
   A173       2.09126   0.00008  -0.00022   0.00006  -0.00016   2.09110
    D1       -0.52671   0.00024   0.02719   0.06556   0.09276  -0.43394
    D2       -2.66161   0.00030   0.02661   0.06264   0.08923  -2.57238
    D3        1.58988   0.00021   0.02689   0.06501   0.09190   1.68178
    D4        2.40453   0.00007  -0.00065  -0.00225  -0.00290   2.40164
    D5       -1.82390   0.00001  -0.00051  -0.00288  -0.00339  -1.82729
    D6        0.28535  -0.00008  -0.00011  -0.00260  -0.00271   0.28264
    D7       -2.08223  -0.00013  -0.00609  -0.01506  -0.02115  -2.10338
    D8        1.15670  -0.00015  -0.00647  -0.01626  -0.02273   1.13397
    D9        0.90225   0.00005   0.00580   0.02083   0.02661   0.92886
   D10       -1.25366  -0.00004   0.00517   0.02336   0.02852  -1.22514
   D11        2.96738   0.00001   0.00396   0.02018   0.02414   2.99152
   D12       -2.67333   0.00016  -0.01479   0.00176  -0.01302  -2.68635
   D13        1.45394   0.00007  -0.01541   0.00430  -0.01111   1.44283
   D14       -0.60820   0.00013  -0.01663   0.00112  -0.01549  -0.62369
   D15        2.52127   0.00016  -0.01360  -0.01522  -0.02879   2.49248
   D16       -1.64432   0.00004  -0.01385  -0.01797  -0.03179  -1.67612
   D17        0.39078   0.00010  -0.01380  -0.01782  -0.03159   0.35919
   D18       -0.17285   0.00009   0.00757   0.00367   0.01117  -0.16168
   D19        1.94474  -0.00004   0.00731   0.00092   0.00817   1.95291
   D20       -2.30334   0.00003   0.00736   0.00108   0.00837  -2.29497
   D21        0.16458  -0.00018   0.01223   0.00924   0.02146   0.18605
   D22       -3.02208  -0.00037   0.00589   0.00284   0.00870  -3.01338
   D23        2.86249   0.00010  -0.00869  -0.01002  -0.01867   2.84382
   D24       -0.32417  -0.00008  -0.01503  -0.01642  -0.03144  -0.35561
   D25       -1.03244   0.00028   0.01551   0.03137   0.04687  -0.98557
   D26        3.07147   0.00018   0.01608   0.02758   0.04365   3.11512
   D27        1.01701   0.00025   0.01756   0.02999   0.04754   1.06455
   D28        2.26704   0.00031   0.01357   0.02573   0.03931   2.30635
   D29        0.08777   0.00021   0.01414   0.02194   0.03609   0.12386
   D30       -1.96669   0.00027   0.01562   0.02435   0.03998  -1.92671
   D31        0.17210   0.00046   0.00066   0.00955   0.01021   0.18231
   D32       -3.04264   0.00059   0.00041   0.00976   0.01016  -3.03248
   D33       -3.12972   0.00042   0.00254   0.01528   0.01782  -3.11190
   D34       -0.06128   0.00055   0.00229   0.01549   0.01778  -0.04350
   D35       -1.67077  -0.00010   0.00272  -0.01459  -0.01187  -1.68264
   D36        2.46779  -0.00005   0.00339  -0.01425  -0.01086   2.45692
   D37        0.38040  -0.00008   0.00316  -0.01490  -0.01174   0.36866
   D38        1.15479  -0.00003  -0.00344  -0.01814  -0.02158   1.13321
   D39       -0.98985   0.00002  -0.00277  -0.01780  -0.02057  -1.01041
   D40       -3.07724  -0.00001  -0.00299  -0.01845  -0.02144  -3.09868
   D41       -0.12775  -0.00005  -0.00454  -0.00575  -0.01029  -0.13804
   D42        3.06848   0.00014  -0.00226   0.00297   0.00071   3.06919
   D43       -2.94739  -0.00011   0.00168  -0.00203  -0.00034  -2.94774
   D44        0.24883   0.00008   0.00397   0.00669   0.01065   0.25949
   D45       -2.98343  -0.00008   0.00793   0.01572   0.02363  -2.95979
   D46        0.20248   0.00009   0.01416   0.02195   0.03612   0.23860
   D47        0.00509  -0.00028  -0.01025  -0.03389  -0.04406  -0.03897
   D48       -3.09219  -0.00011  -0.00402  -0.02766  -0.03157  -3.12376
   D49        0.39884  -0.00006  -0.00558  -0.01336  -0.01888   0.37996
   D50        2.51967  -0.00006  -0.00506  -0.01022  -0.01525   2.50442
   D51       -1.71449  -0.00009  -0.00501  -0.01125  -0.01625  -1.73073
   D52       -2.58558   0.00014   0.01311   0.03765   0.05078  -2.53480
   D53       -0.46476   0.00015   0.01363   0.04079   0.05441  -0.41034
   D54        1.58427   0.00012   0.01368   0.03976   0.05342   1.63769
   D55       -0.87439   0.00025   0.00519  -0.02341  -0.01822  -0.89261
   D56        1.25270   0.00020   0.00506  -0.02019  -0.01513   1.23757
   D57       -3.00917   0.00019   0.00526  -0.02165  -0.01640  -3.02557
   D58        1.32398  -0.00001   0.00320  -0.01985  -0.01665   1.30733
   D59       -2.83212  -0.00006   0.00307  -0.01663  -0.01356  -2.84568
   D60       -0.81079  -0.00007   0.00327  -0.01810  -0.01483  -0.82562
   D61       -2.94045   0.00013   0.00325  -0.02121  -0.01796  -2.95840
   D62       -0.81336   0.00008   0.00312  -0.01799  -0.01487  -0.82822
   D63        1.20797   0.00007   0.00332  -0.01945  -0.01613   1.19183
   D64       -1.04650   0.00019   0.00258  -0.00814  -0.00556  -1.05206
   D65        1.09793   0.00011   0.00070  -0.00750  -0.00681   1.09112
   D66        3.13196   0.00016   0.00157  -0.00756  -0.00600   3.12596
   D67        3.00919  -0.00009   0.00283  -0.01301  -0.01018   2.99901
   D68       -1.12957  -0.00016   0.00095  -0.01237  -0.01143  -1.14100
   D69        0.90446  -0.00012   0.00181  -0.01243  -0.01062   0.89384
   D70        1.00853   0.00004   0.00186  -0.01151  -0.00965   0.99887
   D71       -3.13023  -0.00003  -0.00002  -0.01088  -0.01090  -3.14113
   D72       -1.09620   0.00001   0.00085  -0.01094  -0.01009  -1.10629
   D73        3.04790  -0.00020  -0.00842  -0.01035  -0.01877   3.02913
   D74        0.93347  -0.00011  -0.00812  -0.01263  -0.02075   0.91272
   D75       -1.17356  -0.00016  -0.00865  -0.01230  -0.02095  -1.19451
   D76       -1.07302   0.00013  -0.00680  -0.00793  -0.01473  -1.08775
   D77        3.09574   0.00021  -0.00650  -0.01020  -0.01671   3.07903
   D78        0.98871   0.00017  -0.00704  -0.00988  -0.01691   0.97179
   D79        0.98148  -0.00006  -0.00645  -0.00811  -0.01456   0.96693
   D80       -1.13294   0.00002  -0.00615  -0.01039  -0.01653  -1.14948
   D81        3.04321  -0.00002  -0.00668  -0.01006  -0.01674   3.02647
   D82        1.70701   0.00020  -0.01306  -0.00045  -0.01352   1.69349
   D83       -1.36212   0.00009  -0.01285  -0.00078  -0.01364  -1.37575
   D84       -0.49958   0.00001  -0.01371   0.00092  -0.01279  -0.51237
   D85        2.71448  -0.00010  -0.01350   0.00059  -0.01291   2.70157
   D86       -2.53319   0.00013  -0.01300   0.00115  -0.01184  -2.54503
   D87        0.68087   0.00002  -0.01279   0.00082  -0.01196   0.66891
   D88        1.75903  -0.00017  -0.00025  -0.01684  -0.01709   1.74193
   D89       -2.43718  -0.00002   0.00094  -0.01096  -0.01002  -2.44720
   D90       -0.33519  -0.00005   0.00087  -0.01445  -0.01358  -0.34877
   D91       -0.36058  -0.00010  -0.00031  -0.01937  -0.01968  -0.38026
   D92        1.72639   0.00004   0.00089  -0.01349  -0.01260   1.71379
   D93       -2.45480   0.00002   0.00081  -0.01698  -0.01617  -2.47097
   D94       -2.41704  -0.00001  -0.00065  -0.01769  -0.01835  -2.43538
   D95       -0.33006   0.00013   0.00054  -0.01181  -0.01127  -0.34133
   D96        1.77193   0.00011   0.00047  -0.01530  -0.01483   1.75710
   D97       -1.17624  -0.00010   0.00369   0.01203   0.01572  -1.16052
   D98        0.99466   0.00003   0.00329   0.01332   0.01661   1.01127
   D99        3.05118  -0.00008   0.00280   0.01148   0.01429   3.06546
   D100       2.96015   0.00006   0.00243   0.00524   0.00767   2.96781
   D101      -1.15214   0.00019   0.00203   0.00653   0.00856  -1.14358
   D102       0.90437   0.00008   0.00154   0.00470   0.00624   0.91061
   D103       0.84475   0.00000   0.00247   0.00810   0.01056   0.85531
   D104       3.01564   0.00013   0.00207   0.00939   0.01145   3.02710
   D105      -1.21102   0.00002   0.00158   0.00755   0.00913  -1.20190
   D106      -1.06037   0.00001   0.00069  -0.00362  -0.00293  -1.06330
   D107       3.13402   0.00003   0.00092  -0.00385  -0.00293   3.13109
   D108       1.04902   0.00003   0.00080  -0.00379  -0.00299   1.04602
   D109       1.07104   0.00002   0.00062  -0.00113  -0.00051   1.07052
   D110      -1.01776   0.00004   0.00084  -0.00136  -0.00052  -1.01828
   D111      -3.10277   0.00004   0.00072  -0.00130  -0.00058  -3.10334
   D112      -3.12269  -0.00008   0.00142  -0.00137   0.00005  -3.12264
   D113       1.07170  -0.00006   0.00164  -0.00160   0.00004   1.07174
   D114      -1.01330  -0.00006   0.00152  -0.00154  -0.00002  -1.01332
   D115       0.91273   0.00001  -0.00187  -0.00453  -0.00640   0.90632
   D116      -1.19256   0.00000  -0.00188  -0.00428  -0.00616  -1.19872
   D117       3.00117   0.00000  -0.00190  -0.00388  -0.00578   2.99539
   D118      -1.19512  -0.00008  -0.00115  -0.00548  -0.00663  -1.20175
   D119       2.98277  -0.00008  -0.00116  -0.00523  -0.00639   2.97638
   D120       0.89332  -0.00008  -0.00118  -0.00483  -0.00601   0.88731
   D121       3.00968   0.00006  -0.00188  -0.00518  -0.00706   3.00262
   D122       0.90439   0.00005  -0.00188  -0.00494  -0.00682   0.89757
   D123      -1.18506   0.00005  -0.00191  -0.00454  -0.00645  -1.19151
   D124      -1.07277  -0.00008   0.00588   0.01166   0.01754  -1.05523
   D125       1.08402  -0.00006   0.00590   0.01193   0.01783   1.10185
   D126       3.10689  -0.00007   0.00626   0.01290   0.01916   3.12604
   D127       3.03767   0.00000   0.00618   0.01220   0.01838   3.05605
   D128      -1.08873   0.00002   0.00619   0.01248   0.01867  -1.07006
   D129       0.93414   0.00000   0.00655   0.01344   0.02000   0.95414
   D130       1.00081   0.00000   0.00661   0.01362   0.02023   1.02104
   D131      -3.12558   0.00002   0.00663   0.01389   0.02052  -3.10507
   D132      -1.10272   0.00001   0.00699   0.01486   0.02184  -1.08087
   D133      -1.52166  -0.00025  -0.00138   0.00628   0.00490  -1.51676
   D134       1.63065  -0.00029  -0.00447   0.00733   0.00286   1.63351
   D135       2.61768   0.00001   0.00056   0.00554   0.00609   2.62378
   D136      -0.51319  -0.00002  -0.00253   0.00659   0.00406  -0.50914
   D137       0.56075   0.00000  -0.00050   0.00739   0.00689   0.56765
   D138      -2.57012  -0.00004  -0.00359   0.00844   0.00485  -2.56527
   D139       0.74296  -0.00006   0.00044   0.00337   0.00376   0.74672
   D140       2.83881  -0.00002   0.00017   0.00346   0.00361   2.84242
   D141      -1.38547   0.00001   0.00024   0.00346   0.00367  -1.38180
   D142      -1.35624  -0.00006   0.00160   0.00813   0.00971  -1.34653
   D143       0.73961  -0.00002   0.00134   0.00822   0.00955   0.74916
   D144       2.79852   0.00001   0.00141   0.00822   0.00962   2.80813
   D145       2.87957   0.00000   0.00099   0.00667   0.00763   2.88720
   D146      -1.30777   0.00004   0.00072   0.00676   0.00748  -1.30029
   D147       0.75114   0.00007   0.00079   0.00676   0.00754   0.75868
   D148      -0.84720   0.00006  -0.00152   0.00095  -0.00061  -0.84781
   D149      -2.96342  -0.00002  -0.00229  -0.00305  -0.00535  -2.96877
   D150       1.26599  -0.00002  -0.00244  -0.00286  -0.00530   1.26069
   D151      -2.94056   0.00005  -0.00130   0.00090  -0.00043  -2.94099
   D152       1.22641  -0.00003  -0.00206  -0.00309  -0.00517   1.22124
   D153      -0.82736  -0.00003  -0.00221  -0.00291  -0.00512  -0.83248
   D154       1.27760   0.00013  -0.00142   0.00143  -0.00002   1.27758
   D155      -0.83862   0.00005  -0.00218  -0.00257  -0.00476  -0.84338
   D156      -2.89239   0.00005  -0.00233  -0.00238  -0.00471  -2.89710
   D157      -1.18523   0.00004  -0.00269  -0.01266  -0.01535  -1.20058
   D158       1.97341   0.00005  -0.00292  -0.01165  -0.01457   1.95884
   D159       2.95646  -0.00002  -0.00226  -0.01256  -0.01482   2.94164
   D160      -0.16810  -0.00001  -0.00249  -0.01155  -0.01404  -0.18213
   D161       0.90097  -0.00004  -0.00317  -0.01401  -0.01718   0.88379
   D162      -2.22358  -0.00003  -0.00340  -0.01300  -0.01640  -2.23998
   D163      -3.13146   0.00000  -0.00171   0.00018  -0.00154  -3.13300
   D164       0.00884  -0.00003  -0.00207  -0.00048  -0.00254   0.00630
   D165      -0.00044   0.00003   0.00133  -0.00087   0.00047   0.00003
   D166       3.13987   0.00000   0.00098  -0.00152  -0.00054   3.13933
   D167       3.13261   0.00000   0.00244  -0.00017   0.00227   3.13488
   D168      -0.00928  -0.00011   0.00077  -0.00132  -0.00056  -0.00984
   D169       0.00166  -0.00003  -0.00064   0.00088   0.00024   0.00190
   D170      -3.14024  -0.00014  -0.00230  -0.00028  -0.00258   3.14037
   D171      -3.12543   0.00001   0.00019   0.00136   0.00156  -3.12388
   D172       0.02122   0.00001   0.00057   0.00220   0.00277   0.02399
   D173      -0.00067   0.00000   0.00042   0.00037   0.00079   0.00012
   D174      -3.13720   0.00000   0.00080   0.00120   0.00200  -3.13520
   D175       3.12336  -0.00001  -0.00015  -0.00119  -0.00134   3.12202
   D176      -0.01784   0.00000  -0.00024  -0.00086  -0.00110  -0.01894
   D177      -0.00139   0.00000  -0.00038  -0.00018  -0.00056  -0.00195
   D178       3.14060   0.00001  -0.00047   0.00015  -0.00032   3.14028
   D179       2.77522   0.00001  -0.00110  -0.01568  -0.01677   2.75844
   D180       0.72797   0.00006  -0.00130  -0.01518  -0.01648   0.71149
   D181      -1.35096   0.00007  -0.00157  -0.01552  -0.01710  -1.36806
   D182      -0.41869  -0.00016  -0.00328  -0.02402  -0.02730  -0.44599
   D183      -2.46594  -0.00012  -0.00349  -0.02352  -0.02701  -2.49294
   D184       1.73831  -0.00010  -0.00376  -0.02386  -0.02762   1.71069
   D185      -0.00052  -0.00001  -0.00101   0.00021  -0.00080  -0.00133
   D186       3.14082  -0.00003  -0.00043  -0.00100  -0.00143   3.13939
   D187      -3.14083   0.00002  -0.00065   0.00086   0.00021  -3.14062
   D188       0.00051   0.00000  -0.00008  -0.00034  -0.00042   0.00009
   D189      -0.00193   0.00001  -0.00038  -0.00023  -0.00061  -0.00255
   D190       3.13873  -0.00002  -0.00111  -0.00088  -0.00200   3.13674
   D191       3.13996   0.00012   0.00127   0.00092   0.00219  -3.14104
   D192      -0.00256   0.00008   0.00054   0.00026   0.00080  -0.00176
   D193       0.00213   0.00000  -0.00017  -0.00024  -0.00041   0.00172
   D194      -3.13792  -0.00001  -0.00012  -0.00035  -0.00047  -3.13839
   D195       3.13865   0.00000  -0.00055  -0.00108  -0.00163   3.13702
   D196      -0.00141   0.00000  -0.00050  -0.00119  -0.00169  -0.00309
   D197       0.00200   0.00000   0.00008  -0.00013  -0.00005   0.00195
   D198      -3.13981   0.00000   0.00007   0.00004   0.00011  -3.13970
   D199      -3.13999  -0.00001   0.00017  -0.00046  -0.00029  -3.14028
   D200       0.00138  -0.00001   0.00016  -0.00029  -0.00013   0.00126
   D201       0.00026  -0.00001  -0.00002   0.00045   0.00043   0.00069
   D202       3.14151   0.00000   0.00105  -0.00043   0.00062  -3.14106
   D203      -3.14108   0.00001  -0.00060   0.00166   0.00106  -3.14002
   D204       0.00017   0.00001   0.00047   0.00077   0.00125   0.00141
   D205       0.00096   0.00001   0.00072  -0.00044   0.00028   0.00124
   D206      -3.14028   0.00001  -0.00035   0.00044   0.00009  -3.14019
   D207      -3.13970   0.00004   0.00145   0.00022   0.00167  -3.13803
   D208       0.00224   0.00004   0.00038   0.00110   0.00148   0.00372
   D209      -0.00152   0.00000  -0.00013  -0.00008  -0.00021  -0.00173
   D210       3.14074  -0.00001  -0.00011  -0.00046  -0.00057   3.14017
   D211       3.13853   0.00001  -0.00019   0.00003  -0.00015   3.13838
   D212      -0.00239   0.00000  -0.00016  -0.00035  -0.00051  -0.00291
   D213      -0.00054   0.00000   0.00018   0.00026   0.00044  -0.00010
   D214       3.14039   0.00001   0.00016   0.00064   0.00080   3.14119
   D215       3.14128   0.00000   0.00019   0.00009   0.00028   3.14155
   D216      -0.00099   0.00000   0.00017   0.00047   0.00064  -0.00035
   D217      -3.05303  -0.00005  -0.00058  -0.00364  -0.00421  -3.05724
   D218       0.07953  -0.00006  -0.00024  -0.00332  -0.00356   0.07597
   D219      -0.00930  -0.00002  -0.00014  -0.00228  -0.00243  -0.01172
   D220       3.12326  -0.00003   0.00020  -0.00197  -0.00178   3.12148
   D221       3.05595   0.00006   0.00055   0.00372   0.00428   3.06022
   D222      -0.07963   0.00005   0.00058   0.00435   0.00494  -0.07469
   D223       0.01560   0.00002   0.00022   0.00256   0.00277   0.01837
   D224      -3.11997   0.00002   0.00025   0.00319   0.00344  -3.11653
   D225      -0.00382   0.00001  -0.00003   0.00045   0.00043  -0.00339
   D226       3.14026  -0.00001   0.00012  -0.00026  -0.00014   3.14012
   D227      -3.13641   0.00001  -0.00036   0.00014  -0.00022  -3.13663
   D228       0.00766  -0.00001  -0.00021  -0.00058  -0.00079   0.00687
   D229      -2.92101   0.00003   0.00652   0.02174   0.02826  -2.89276
   D230       1.26704   0.00004   0.00660   0.02215   0.02875   1.29579
   D231      -0.81905  -0.00001   0.00683   0.02185   0.02868  -0.79037
   D232       0.21136   0.00002   0.00686   0.02206   0.02892   0.24028
   D233      -1.88377   0.00003   0.00694   0.02247   0.02941  -1.85436
   D234       2.31332  -0.00002   0.00717   0.02217   0.02934   2.34266
   D235      -0.00894  -0.00001  -0.00013  -0.00101  -0.00114  -0.01008
   D236       3.13925  -0.00002   0.00007  -0.00086  -0.00079   3.13846
   D237       3.12670   0.00000  -0.00016  -0.00163  -0.00178   3.12492
   D238      -0.00829  -0.00001   0.00004  -0.00147  -0.00144  -0.00973
   D239       2.82981   0.00000  -0.00100  -0.00561  -0.00661   2.82320
   D240       0.72715   0.00002  -0.00077  -0.00463  -0.00540   0.72175
   D241      -1.35886  -0.00001  -0.00107  -0.00598  -0.00706  -1.36592
   D242      -0.30566  -0.00001  -0.00097  -0.00497  -0.00594  -0.31160
   D243      -2.40832   0.00001  -0.00074  -0.00399  -0.00473  -2.41305
   D244       1.78886  -0.00002  -0.00104  -0.00535  -0.00639   1.78247
   D245       0.01036   0.00001   0.00012   0.00105   0.00116   0.01152
   D246      -3.13510   0.00000   0.00021   0.00034   0.00055  -3.13455
   D247      -3.13373   0.00003  -0.00004   0.00177   0.00173  -3.13200
   D248       0.00400   0.00002   0.00006   0.00106   0.00112   0.00512
   D249      -0.00381  -0.00001  -0.00004  -0.00076  -0.00080  -0.00461
   D250      -3.14155   0.00000  -0.00014  -0.00006  -0.00019   3.14145
   D251       3.13114   0.00001  -0.00023  -0.00092  -0.00115   3.13000
   D252      -0.00659   0.00002  -0.00033  -0.00021  -0.00054  -0.00713
         Item               Value     Threshold  Converged?
 Maximum Force            0.000686     0.000450     NO 
 RMS     Force            0.000133     0.000300     YES
 Maximum Displacement     0.393197     0.001800     NO 
 RMS     Displacement     0.070213     0.001200     NO 
 Predicted change in Energy=-1.251070D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.093875   -0.055624   -1.468850
      2          8           0       -3.046278    0.095636   -2.515504
      3          8           0       -3.510978   -2.050378    1.459187
      4          8           0        1.994239    1.836147    2.246793
      5          8           0        3.495566   -1.249304    1.305975
      6          7           0       -3.121951   -2.664976   -0.756602
      7          7           0       -3.186898    0.416561   -0.242631
      8          7           0        2.136073    0.881583    0.158500
      9          7           0       -1.784747   -3.504522    1.083568
     10          6           0       -2.689076    1.774332   -0.211028
     11          6           0       -4.097817   -1.683231   -1.191019
     12          6           0       -1.351471    1.985245   -0.942728
     13          6           0       -0.251157    1.011251   -0.540775
     14          6           0       -4.852046   -2.065725   -2.483054
     15          6           0        1.130275    1.728438   -0.440222
     16          6           0       -2.572413    2.297961    1.236324
     17          6           0       -3.420850   -0.296213   -1.388670
     18          6           0       -2.125478   -3.093307   -1.719544
     19          6           0       -0.736118   -3.338637   -1.138646
     20          6           0        1.547313    2.215358   -1.840143
     21          6           0       -2.818763   -2.696236    0.626621
     22          6           0       -5.943878   -1.043269   -2.737472
     23          6           0       -5.459335   -3.448449   -2.379807
     24          6           0       -0.827198   -4.088371    0.188436
     25          6           0       -3.884014    2.303282    1.939322
     26          6           0        2.800531    3.014863   -1.825566
     27          6           0        2.449711    0.947879    1.494878
     28          6           0       -4.736048    3.408855    1.825725
     29          6           0       -4.275746    1.213980    2.726797
     30          6           0        2.821559    4.285636   -1.236955
     31          6           0        3.966923    2.516935   -2.417725
     32          6           0        3.455846   -0.044112    2.076918
     33          6           0       -5.961130    3.424868    2.489530
     34          6           0       -5.503425    1.232007    3.388046
     35          6           0       -6.347226    2.336179    3.271626
     36          6           0        3.989966    5.044595   -1.241314
     37          6           0        5.134527    3.278879   -2.422967
     38          6           0        5.148509    4.543201   -1.835228
     39          6           0        4.778711   -1.743595    1.083369
     40          6           0        5.195604   -1.876351   -0.255002
     41          6           0        5.575794   -2.200680    2.148143
     42          6           0        6.437835   -2.465112   -0.511617
     43          6           0        6.816072   -2.777189    1.853699
     44          6           0        4.337789   -1.414747   -1.369635
     45          6           0        5.123480   -2.089449    3.553553
     46          6           0        7.244511   -2.905728    0.534852
     47          1           0       -3.445433    2.428050   -0.750114
     48          1           0       -4.873435   -1.600988   -0.366559
     49          1           0       -1.535946    1.897645   -2.048840
     50          1           0       -1.024780    3.037905   -0.736921
     51          1           0       -0.491262    0.553201    0.462331
     52          1           0       -4.125790   -2.035633   -3.343444
     53          1           0        0.991261    2.627395    0.233881
     54          1           0       -3.492616    0.029862    0.627696
     55          1           0       -1.831554    1.679068    1.809457
     56          1           0       -2.167155    3.343990    1.186688
     57          1           0       -2.506647   -4.049980   -2.182144
     58          1           0       -2.040776   -2.319265   -2.538710
     59          1           0       -0.142118   -3.948686   -1.864789
     60          1           0       -0.204648   -2.359493   -0.994382
     61          1           0        1.648898    1.328879   -2.522062
     62          1           0        0.709840    2.849181   -2.239230
     63          1           0       -6.676712   -1.027166   -1.895327
     64          1           0       -6.490828   -1.302063   -3.675961
     65          1           0       -5.505164   -0.022630   -2.855370
     66          1           0       -6.070780   -3.541048   -1.450098
     67          1           0       -4.669350   -4.236647   -2.363211
     68          1           0       -6.121661   -3.637111   -3.259800
     69          1           0        0.184382   -4.098476    0.684831
     70          1           0       -1.122689   -5.159868   -0.013100
     71          1           0        2.390325    0.063926   -0.350111
     72          1           0       -1.614658   -3.509865    2.060303
     73          1           0       -0.932350   -0.177025   -1.936232
     74          1           0       -4.434200    4.269478    1.210478
     75          1           0       -3.617933    0.334755    2.826528
     76          1           0        1.910542    4.681642   -0.764117
     77          1           0        3.961737    1.519295   -2.881870
     78          1           0        3.110623   -0.320848    3.109619
     79          1           0        4.456793    0.456957    2.127844
     80          1           0       -6.623104    4.298119    2.396400
     81          1           0       -5.804820    0.369533    4.000930
     82          1           0       -7.314144    2.348851    3.794892
     83          1           0        3.998036    6.040196   -0.774070
     84          1           0        6.045929    2.880539   -2.892058
     85          1           0        6.069657    5.143299   -1.839398
     86          1           0        6.777355   -2.577350   -1.552364
     87          1           0        7.453988   -3.137528    2.674948
     88          1           0        4.694534   -1.820905   -2.347522
     89          1           0        4.350300   -0.295871   -1.427728
     90          1           0        3.281058   -1.747131   -1.210314
     91          1           0        5.703702   -2.776253    4.217364
     92          1           0        4.038095   -2.348844    3.635343
     93          1           0        5.263609   -1.042307    3.923910
     94          1           0        8.222556   -3.361162    0.319412
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0845148      0.0408382      0.0357012
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3235.6744169618 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246369747389     A.U. after   14 cycles
             Convg  =    0.4430D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000394117    0.000603168   -0.000082363
      2        8          -0.000537830   -0.000103215    0.000220216
      3        8          -0.000442879    0.000039985   -0.000564445
      4        8           0.000180510    0.000226335    0.000295221
      5        8          -0.000146959    0.000206823   -0.000143602
      6        7           0.000660952   -0.001629069   -0.000736555
      7        7           0.000282046   -0.000178082   -0.000780167
      8        7           0.000055677    0.000371678   -0.000263212
      9        7           0.000316534    0.000755813    0.000615175
     10        6          -0.000177042    0.000205557    0.000356652
     11        6          -0.000335266    0.001148278    0.000759492
     12        6           0.000189100    0.000398915   -0.000141507
     13        6          -0.000233482   -0.000265302    0.000064934
     14        6          -0.000121628   -0.000184350   -0.000347245
     15        6           0.000015955   -0.000011858    0.000019625
     16        6          -0.000214632    0.000168513    0.000072845
     17        6           0.000554021   -0.000211193   -0.000102227
     18        6          -0.000149360    0.000800171    0.000019096
     19        6           0.000246283    0.000228711   -0.000129928
     20        6           0.000123912   -0.000153661   -0.000181231
     21        6          -0.000384866   -0.000357204    0.000776203
     22        6           0.000111492    0.000006504    0.000119038
     23        6          -0.000095017    0.000018831    0.000026680
     24        6          -0.000173136   -0.000264290    0.000017205
     25        6          -0.000154311   -0.000421103    0.000070426
     26        6           0.000051161    0.000108042    0.000091967
     27        6          -0.000326523   -0.000619051   -0.000071958
     28        6           0.000061522   -0.000047335   -0.000076049
     29        6           0.000072825    0.000278738   -0.000065690
     30        6           0.000068124    0.000009153   -0.000042778
     31        6          -0.000102506    0.000039265   -0.000017110
     32        6          -0.000228552   -0.000161606   -0.000001421
     33        6           0.000079542    0.000049022    0.000017245
     34        6          -0.000114462   -0.000071389   -0.000044546
     35        6           0.000082568   -0.000116040    0.000069469
     36        6           0.000030297    0.000015212    0.000039566
     37        6          -0.000024781   -0.000004068   -0.000045607
     38        6          -0.000024042    0.000050608    0.000052211
     39        6          -0.000176549   -0.000057167    0.000167279
     40        6          -0.000006666   -0.000071661    0.000066818
     41        6          -0.000063707    0.000099608   -0.000140389
     42        6          -0.000198984   -0.000045453    0.000081935
     43        6           0.000214274   -0.000111383    0.000112176
     44        6          -0.000005133    0.000043904   -0.000126637
     45        6           0.000089749    0.000000159    0.000026557
     46        6           0.000162768    0.000073776   -0.000142422
     47        1           0.000035293   -0.000021842   -0.000042811
     48        1          -0.000281521    0.000076260   -0.000204383
     49        1          -0.000079720   -0.000085132    0.000066238
     50        1           0.000038713   -0.000024357   -0.000192036
     51        1           0.000121845    0.000164939    0.000016720
     52        1          -0.000082797    0.000134273    0.000172336
     53        1           0.000194570   -0.000101268   -0.000191939
     54        1           0.000073952    0.000368774   -0.000153347
     55        1           0.000066532   -0.000030253    0.000079537
     56        1          -0.000039017    0.000042641    0.000130438
     57        1           0.000153056   -0.000236900    0.000159351
     58        1           0.000038436   -0.000119277   -0.000020981
     59        1           0.000017730    0.000002059    0.000085698
     60        1          -0.000096194   -0.000171535   -0.000065717
     61        1           0.000011682   -0.000112588    0.000071185
     62        1          -0.000036134    0.000023982    0.000164628
     63        1           0.000029981    0.000079157   -0.000041663
     64        1           0.000012803   -0.000039140    0.000114112
     65        1           0.000022197   -0.000022830   -0.000019043
     66        1           0.000002324    0.000061103   -0.000055898
     67        1          -0.000003186    0.000048088    0.000046976
     68        1          -0.000028397   -0.000000703    0.000007139
     69        1           0.000039816   -0.000088697   -0.000094277
     70        1          -0.000011777    0.000052759   -0.000034329
     71        1          -0.000120277    0.000034414   -0.000010395
     72        1           0.000072022   -0.000316757   -0.000278473
     73        1           0.000066768   -0.000540476    0.000011870
     74        1           0.000021046   -0.000021301    0.000016810
     75        1           0.000049296   -0.000026561    0.000229677
     76        1          -0.000060737    0.000001293   -0.000003415
     77        1           0.000030053    0.000010487    0.000021528
     78        1          -0.000003691    0.000139977   -0.000113624
     79        1          -0.000028020    0.000053643    0.000062204
     80        1          -0.000025720    0.000020722    0.000004086
     81        1           0.000028741   -0.000008670   -0.000024036
     82        1          -0.000029477    0.000026415   -0.000033245
     83        1          -0.000010242   -0.000010382   -0.000023666
     84        1           0.000029575   -0.000013787    0.000004647
     85        1           0.000018142   -0.000029504   -0.000022427
     86        1           0.000102669   -0.000050772    0.000047974
     87        1          -0.000041418    0.000019801   -0.000066297
     88        1           0.000013634   -0.000033197    0.000129914
     89        1           0.000080652   -0.000103430    0.000006246
     90        1           0.000047918   -0.000003011    0.000072006
     91        1           0.000066602    0.000012752   -0.000007401
     92        1          -0.000017295    0.000039159    0.000028946
     93        1          -0.000026292   -0.000027799   -0.000028368
     94        1          -0.000069249   -0.000034819    0.000066560
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001629069 RMS     0.000231632

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001234054 RMS     0.000172734
 Search for a local minimum.
 Step number  22 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   19   20   21   22
 DE= -8.77D-05 DEPred=-1.25D-04 R= 7.01D-01
 SS=  1.41D+00  RLast= 2.94D-01 DXNew= 1.2163D+00 8.8289D-01
 Trust test= 7.01D-01 RLast= 2.94D-01 DXMaxT set to 8.83D-01
     Eigenvalues ---    0.00083   0.00170   0.00230   0.00232   0.00237
     Eigenvalues ---    0.00244   0.00307   0.00322   0.00331   0.00399
     Eigenvalues ---    0.00407   0.00470   0.00487   0.00512   0.00543
     Eigenvalues ---    0.00651   0.00709   0.00726   0.01187   0.01204
     Eigenvalues ---    0.01315   0.01337   0.01376   0.01396   0.01439
     Eigenvalues ---    0.01444   0.01491   0.01522   0.01576   0.01679
     Eigenvalues ---    0.01996   0.02020   0.02075   0.02114   0.02127
     Eigenvalues ---    0.02141   0.02149   0.02150   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02171   0.02172   0.02176   0.02176
     Eigenvalues ---    0.02179   0.02180   0.02181   0.02186   0.02187
     Eigenvalues ---    0.02188   0.02190   0.02216   0.02281   0.02352
     Eigenvalues ---    0.02598   0.02739   0.02996   0.03203   0.03483
     Eigenvalues ---    0.03696   0.03764   0.03927   0.03967   0.04055
     Eigenvalues ---    0.04247   0.04331   0.04394   0.04598   0.04692
     Eigenvalues ---    0.04810   0.04858   0.04996   0.05053   0.05158
     Eigenvalues ---    0.05204   0.05391   0.05433   0.05440   0.05483
     Eigenvalues ---    0.05592   0.05609   0.05617   0.05672   0.05838
     Eigenvalues ---    0.05933   0.05976   0.06772   0.06798   0.07109
     Eigenvalues ---    0.07112   0.07172   0.07238   0.07376   0.07527
     Eigenvalues ---    0.07818   0.08051   0.08311   0.08619   0.09200
     Eigenvalues ---    0.09332   0.09400   0.09816   0.11029   0.11580
     Eigenvalues ---    0.12172   0.12475   0.12750   0.12899   0.14055
     Eigenvalues ---    0.15491   0.15551   0.15893   0.15950   0.15959
     Eigenvalues ---    0.15988   0.15998   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16003   0.16005   0.16007   0.16010   0.16015
     Eigenvalues ---    0.16043   0.16061   0.16169   0.16280   0.16446
     Eigenvalues ---    0.16775   0.17305   0.17634   0.18608   0.18941
     Eigenvalues ---    0.19835   0.20027   0.20406   0.20691   0.21524
     Eigenvalues ---    0.21873   0.21982   0.22000   0.22000   0.22002
     Eigenvalues ---    0.22063   0.22320   0.22499   0.22884   0.23180
     Eigenvalues ---    0.23407   0.23484   0.23528   0.23616   0.24280
     Eigenvalues ---    0.24628   0.24757   0.24858   0.24969   0.24996
     Eigenvalues ---    0.25018   0.25109   0.25571   0.25698   0.25861
     Eigenvalues ---    0.26905   0.27096   0.27479   0.27673   0.27897
     Eigenvalues ---    0.28268   0.28449   0.28601   0.29125   0.29677
     Eigenvalues ---    0.29945   0.30255   0.30862   0.31457   0.31804
     Eigenvalues ---    0.32551   0.32906   0.33401   0.33891   0.34439
     Eigenvalues ---    0.34461   0.34517   0.34584   0.34618   0.34653
     Eigenvalues ---    0.34667   0.34700   0.34703   0.34731   0.34732
     Eigenvalues ---    0.34742   0.34750   0.34753   0.34760   0.34768
     Eigenvalues ---    0.34781   0.34787   0.34791   0.34804   0.34809
     Eigenvalues ---    0.34821   0.34832   0.34842   0.34851   0.34870
     Eigenvalues ---    0.34899   0.34946   0.34994   0.35396   0.35832
     Eigenvalues ---    0.35887   0.35916   0.35944   0.35961   0.35968
     Eigenvalues ---    0.35984   0.35993   0.35999   0.36006   0.36026
     Eigenvalues ---    0.36033   0.36063   0.36628   0.37296   0.38658
     Eigenvalues ---    0.39657   0.40507   0.41232   0.42230   0.42287
     Eigenvalues ---    0.42354   0.42566   0.42662   0.44548   0.44941
     Eigenvalues ---    0.45688   0.46052   0.46095   0.46133   0.46194
     Eigenvalues ---    0.46235   0.46343   0.46430   0.46513   0.46699
     Eigenvalues ---    0.46766   0.46791   0.46939   0.47230   0.48130
     Eigenvalues ---    0.49418   0.51367   0.52856   0.55647   0.58107
     Eigenvalues ---    0.58602   0.66344   0.90273   0.90518   0.93595
     Eigenvalues ---    0.973291000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    22   21   20   19   18
 RFO step:  Lambda=-3.77387540D-05.
 DIIS coeffs:      0.65159      1.06832     -0.62015     -0.01597     -0.08380
 Iteration  1 RMS(Cart)=  0.02934157 RMS(Int)=  0.00034339
 Iteration  2 RMS(Cart)=  0.00049636 RMS(Int)=  0.00008979
 Iteration  3 RMS(Cart)=  0.00000036 RMS(Int)=  0.00008979
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68865   0.00010  -0.00084   0.00061  -0.00024   2.68842
    R2        1.82847  -0.00026  -0.00004   0.00046   0.00042   1.82889
    R3        2.36299   0.00033  -0.00006   0.00083   0.00077   2.36376
    R4        2.38245   0.00066  -0.00037   0.00016  -0.00022   2.38223
    R5        2.36167  -0.00030   0.00002  -0.00012  -0.00011   2.36156
    R6        2.70463   0.00014   0.00001   0.00016   0.00017   2.70480
    R7        2.63231   0.00033   0.00005  -0.00007  -0.00002   2.63230
    R8        2.74164   0.00021   0.00079   0.00012   0.00090   2.74254
    R9        2.74087  -0.00010   0.00028   0.00138   0.00161   2.74248
   R10        2.67662  -0.00051  -0.00002   0.00262   0.00264   2.67926
   R11        2.73349  -0.00041  -0.00020  -0.00009  -0.00029   2.73320
   R12        2.58843   0.00047   0.00011  -0.00146  -0.00135   2.58708
   R13        1.89017   0.00040   0.00004   0.00153   0.00156   1.89173
   R14        2.73015  -0.00045  -0.00007   0.00043   0.00036   2.73051
   R15        2.59703  -0.00056   0.00015  -0.00040  -0.00025   2.59678
   R16        1.88205  -0.00007   0.00003  -0.00011  -0.00008   1.88197
   R17        2.62619   0.00032  -0.00017   0.00062   0.00054   2.62672
   R18        2.71164  -0.00007  -0.00020   0.00141   0.00126   2.71290
   R19        1.87357   0.00014   0.00000   0.00055   0.00055   1.87412
   R20        2.90862   0.00003  -0.00079   0.00017  -0.00062   2.90800
   R21        2.91693  -0.00048  -0.00212   0.00254   0.00043   2.91736
   R22        2.14635  -0.00004   0.00004  -0.00025  -0.00020   2.14614
   R23        2.91809   0.00009  -0.00152   0.00215   0.00063   2.91872
   R24        2.94044   0.00003   0.00062  -0.00094  -0.00032   2.94012
   R25        2.14472   0.00026  -0.00011   0.00025   0.00013   2.14486
   R26        2.87892   0.00022  -0.00024   0.00027   0.00003   2.87895
   R27        2.12557   0.00012   0.00002  -0.00053  -0.00051   2.12506
   R28        2.11883   0.00014  -0.00025   0.00000  -0.00025   2.11859
   R29        2.94750   0.00010   0.00000  -0.00042  -0.00042   2.94708
   R30        2.13270   0.00017  -0.00018   0.00042   0.00025   2.13295
   R31        2.86731  -0.00020  -0.00060   0.00093   0.00033   2.86764
   R32        2.86054   0.00008  -0.00032   0.00047   0.00014   2.86068
   R33        2.12846  -0.00004   0.00010  -0.00015  -0.00005   2.12841
   R34        2.90968   0.00008  -0.00008   0.00007  -0.00001   2.90967
   R35        2.13954   0.00010   0.00003  -0.00033  -0.00030   2.13924
   R36        2.81216  -0.00036  -0.00042   0.00070   0.00028   2.81244
   R37        2.12153   0.00005  -0.00030  -0.00004  -0.00033   2.12120
   R38        2.12195  -0.00009   0.00011  -0.00066  -0.00054   2.12141
   R39        2.88327   0.00009  -0.00024   0.00000  -0.00031   2.88296
   R40        2.13339   0.00005   0.00001  -0.00019  -0.00018   2.13322
   R41        2.13577   0.00007  -0.00001  -0.00076  -0.00078   2.13499
   R42        2.88550  -0.00019  -0.00032   0.00026  -0.00010   2.88540
   R43        2.11470   0.00007   0.00000  -0.00011  -0.00011   2.11459
   R44        2.12289   0.00018  -0.00011  -0.00007  -0.00017   2.12272
   R45        2.80926  -0.00017   0.00020  -0.00001   0.00020   2.80946
   R46        2.12220   0.00006  -0.00009  -0.00001  -0.00010   2.12211
   R47        2.12320   0.00005   0.00007  -0.00042  -0.00035   2.12285
   R48        2.10983   0.00008  -0.00010  -0.00010  -0.00020   2.10962
   R49        2.11015   0.00009  -0.00011  -0.00008  -0.00019   2.10996
   R50        2.11115   0.00002   0.00000  -0.00021  -0.00022   2.11093
   R51        2.11007   0.00008  -0.00010  -0.00004  -0.00014   2.10993
   R52        2.10906   0.00001  -0.00002  -0.00011  -0.00013   2.10893
   R53        2.11164   0.00002  -0.00002  -0.00006  -0.00008   2.11156
   R54        2.12945   0.00011  -0.00007  -0.00026  -0.00033   2.12912
   R55        2.13467   0.00000   0.00004  -0.00044  -0.00041   2.13426
   R56        2.64640  -0.00011   0.00005  -0.00012  -0.00008   2.64632
   R57        2.64572   0.00018  -0.00058   0.00053  -0.00005   2.64567
   R58        2.64681   0.00002   0.00004  -0.00002   0.00002   2.64683
   R59        2.64498  -0.00007   0.00008  -0.00014  -0.00005   2.64492
   R60        2.88771  -0.00024  -0.00009   0.00024   0.00014   2.88786
   R61        2.63325  -0.00002  -0.00002  -0.00012  -0.00014   2.63311
   R62        2.07897   0.00001   0.00002  -0.00021  -0.00019   2.07878
   R63        2.63532  -0.00007  -0.00004   0.00017   0.00014   2.63545
   R64        2.08359   0.00011  -0.00023   0.00026   0.00003   2.08362
   R65        2.63291  -0.00002  -0.00002   0.00003   0.00000   2.63291
   R66        2.07900   0.00004  -0.00002  -0.00015  -0.00017   2.07883
   R67        2.63472   0.00001  -0.00004  -0.00001  -0.00005   2.63467
   R68        2.07933   0.00003  -0.00001  -0.00018  -0.00019   2.07914
   R69        2.12309   0.00017  -0.00010  -0.00036  -0.00046   2.12263
   R70        2.11747  -0.00008   0.00000   0.00021   0.00021   2.11768
   R71        2.63614  -0.00006  -0.00002   0.00014   0.00012   2.63626
   R72        2.07823   0.00002  -0.00001  -0.00014  -0.00014   2.07808
   R73        2.63530  -0.00007   0.00007  -0.00016  -0.00009   2.63522
   R74        2.07898   0.00000   0.00001  -0.00016  -0.00015   2.07883
   R75        2.07775   0.00004  -0.00003  -0.00009  -0.00012   2.07763
   R76        2.63639  -0.00002  -0.00001  -0.00001  -0.00002   2.63637
   R77        2.07836   0.00003  -0.00001  -0.00012  -0.00014   2.07822
   R78        2.63489  -0.00004   0.00000   0.00003   0.00003   2.63492
   R79        2.07816   0.00003  -0.00002  -0.00010  -0.00012   2.07804
   R80        2.07754   0.00004  -0.00003  -0.00007  -0.00010   2.07744
   R81        2.66087   0.00036   0.00022   0.00029   0.00051   2.66138
   R82        2.65774   0.00027   0.00008  -0.00046  -0.00038   2.65736
   R83        2.64267   0.00006   0.00003  -0.00040  -0.00037   2.64230
   R84        2.79739  -0.00006   0.00037   0.00022   0.00059   2.79798
   R85        2.64383   0.00017  -0.00006   0.00054   0.00048   2.64430
   R86        2.79790   0.00000   0.00012   0.00042   0.00054   2.79845
   R87        2.63206   0.00009  -0.00014   0.00046   0.00032   2.63238
   R88        2.07958   0.00007  -0.00007   0.00007   0.00000   2.07958
   R89        2.63170  -0.00006  -0.00007  -0.00037  -0.00044   2.63126
   R90        2.07976   0.00000  -0.00001  -0.00006  -0.00007   2.07968
   R91        2.11150   0.00013  -0.00008  -0.00014  -0.00022   2.11128
   R92        2.11735   0.00000   0.00004  -0.00011  -0.00007   2.11728
   R93        2.11493  -0.00001   0.00006  -0.00034  -0.00028   2.11465
   R94        2.11193   0.00007  -0.00003   0.00001  -0.00002   2.11191
   R95        2.11450   0.00005   0.00000  -0.00025  -0.00024   2.11426
   R96        2.11557   0.00005   0.00000  -0.00033  -0.00033   2.11524
   R97        2.07905  -0.00002   0.00000  -0.00014  -0.00014   2.07891
    A1        1.88954   0.00023  -0.00139   0.00518   0.00379   1.89334
    A2        1.99375   0.00016   0.00031   0.00007   0.00039   1.99413
    A3        2.05236   0.00073  -0.00174  -0.00008  -0.00249   2.04987
    A4        2.03905  -0.00079  -0.00136  -0.00422  -0.00624   2.03282
    A5        2.08837   0.00010  -0.00146  -0.00357  -0.00552   2.08285
    A6        2.17185   0.00006   0.00097   0.00368   0.00465   2.17650
    A7        2.03652   0.00005  -0.00104  -0.00146  -0.00250   2.03402
    A8        2.06535  -0.00012   0.00002  -0.00214  -0.00212   2.06322
    A9        2.13364   0.00013  -0.00049   0.00099   0.00045   2.13409
   A10        2.03457  -0.00012  -0.00013  -0.00166  -0.00183   2.03274
   A11        2.06911   0.00000  -0.00054  -0.00058  -0.00117   2.06794
   A12        2.12710  -0.00007  -0.00026  -0.00223  -0.00320   2.12390
   A13        2.04284   0.00009   0.00023  -0.00360  -0.00444   2.03840
   A14        2.09195  -0.00007   0.00059  -0.00387  -0.00438   2.08757
   A15        2.00129   0.00037   0.00025   0.00213   0.00237   2.00366
   A16        1.94434  -0.00009  -0.00189  -0.00090  -0.00279   1.94155
   A17        1.87622  -0.00004   0.00132  -0.00075   0.00054   1.87677
   A18        1.91090  -0.00048   0.00015  -0.00237  -0.00221   1.90869
   A19        1.84857   0.00016   0.00099   0.00174   0.00272   1.85129
   A20        1.87562   0.00009  -0.00069   0.00025  -0.00044   1.87518
   A21        1.99485   0.00053  -0.00069   0.00163   0.00095   1.99580
   A22        1.92686  -0.00123   0.00123  -0.00116   0.00006   1.92692
   A23        1.86628   0.00032   0.00052  -0.00077  -0.00027   1.86601
   A24        1.90394   0.00086  -0.00101   0.00163   0.00063   1.90457
   A25        1.86708  -0.00037  -0.00103   0.00041  -0.00062   1.86647
   A26        1.90181  -0.00012   0.00105  -0.00193  -0.00089   1.90092
   A27        1.99833   0.00005  -0.00110  -0.00023  -0.00134   1.99699
   A28        1.89050   0.00007   0.00061   0.00141   0.00202   1.89252
   A29        1.86983  -0.00010  -0.00063   0.00005  -0.00058   1.86925
   A30        1.90511   0.00011  -0.00008   0.00359   0.00351   1.90862
   A31        1.91916  -0.00016   0.00090  -0.00338  -0.00249   1.91667
   A32        1.87696   0.00003   0.00037  -0.00156  -0.00118   1.87578
   A33        1.96833   0.00054  -0.00039   0.00554   0.00515   1.97348
   A34        1.86391  -0.00028  -0.00025   0.00204   0.00178   1.86569
   A35        1.87440  -0.00014  -0.00036  -0.00434  -0.00470   1.86970
   A36        1.94198  -0.00018   0.00033  -0.00066  -0.00035   1.94163
   A37        1.91807  -0.00013   0.00028  -0.00190  -0.00161   1.91645
   A38        1.89415   0.00018   0.00039  -0.00091  -0.00052   1.89363
   A39        1.90165   0.00011  -0.00164   0.00131  -0.00033   1.90132
   A40        1.94458   0.00001   0.00027   0.00044   0.00072   1.94530
   A41        1.89399   0.00006  -0.00088   0.00150   0.00062   1.89460
   A42        1.91589  -0.00017   0.00050  -0.00087  -0.00037   1.91552
   A43        1.89431  -0.00003   0.00053  -0.00113  -0.00061   1.89370
   A44        1.91260   0.00002   0.00121  -0.00127  -0.00005   1.91255
   A45        1.95388   0.00000   0.00012  -0.00074  -0.00063   1.95325
   A46        1.95367  -0.00017  -0.00049   0.00003  -0.00046   1.95321
   A47        1.87984  -0.00003   0.00054   0.00021   0.00075   1.88059
   A48        1.90358   0.00013  -0.00022   0.00006  -0.00015   1.90343
   A49        1.86996   0.00005  -0.00007   0.00098   0.00092   1.87088
   A50        1.90022   0.00003   0.00015  -0.00049  -0.00035   1.89987
   A51        1.95795   0.00008  -0.00174  -0.00008  -0.00182   1.95613
   A52        1.91937  -0.00020  -0.00025  -0.00130  -0.00155   1.91782
   A53        1.87742   0.00002   0.00041   0.00217   0.00258   1.88000
   A54        1.92030   0.00010  -0.00006   0.00129   0.00122   1.92152
   A55        1.91309  -0.00007   0.00116  -0.00104   0.00012   1.91321
   A56        1.87333   0.00006   0.00061  -0.00109  -0.00048   1.87285
   A57        2.14093   0.00052  -0.00007   0.00208   0.00201   2.14294
   A58        2.12249   0.00035  -0.00054  -0.00002  -0.00056   2.12192
   A59        2.01738  -0.00086   0.00055  -0.00173  -0.00119   2.01619
   A60        2.00460  -0.00009   0.00035   0.00075   0.00111   2.00571
   A61        1.86537   0.00026  -0.00064  -0.00123  -0.00191   1.86346
   A62        1.90756   0.00007  -0.00046   0.00169   0.00126   1.90883
   A63        1.90414  -0.00010   0.00043  -0.00084  -0.00038   1.90376
   A64        1.89423  -0.00010   0.00011  -0.00123  -0.00116   1.89308
   A65        1.88459  -0.00002   0.00020   0.00091   0.00111   1.88571
   A66        1.93427   0.00008  -0.00016  -0.00033  -0.00044   1.93384
   A67        1.90071  -0.00003   0.00014   0.00001   0.00012   1.90082
   A68        1.91723  -0.00009   0.00000   0.00052   0.00052   1.91776
   A69        1.90493   0.00000  -0.00015   0.00065   0.00052   1.90545
   A70        1.92258   0.00002   0.00008   0.00029   0.00032   1.92290
   A71        1.88321   0.00002   0.00010  -0.00116  -0.00106   1.88215
   A72        1.97087  -0.00023   0.00003   0.00046   0.00049   1.97136
   A73        1.90387   0.00015  -0.00048  -0.00033  -0.00081   1.90306
   A74        1.87492   0.00009   0.00003  -0.00018  -0.00015   1.87477
   A75        1.93288  -0.00002   0.00013  -0.00032  -0.00019   1.93269
   A76        1.90547   0.00011  -0.00008  -0.00009  -0.00017   1.90529
   A77        1.87239  -0.00009   0.00038   0.00049   0.00087   1.87326
   A78        2.11306  -0.00012  -0.00073   0.00077  -0.00008   2.11298
   A79        2.08213   0.00009   0.00048  -0.00041  -0.00005   2.08208
   A80        2.08657   0.00003   0.00036  -0.00079  -0.00026   2.08631
   A81        1.93431  -0.00005  -0.00001  -0.00002  -0.00003   1.93429
   A82        1.91475  -0.00008   0.00012  -0.00006   0.00006   1.91481
   A83        1.92916  -0.00002  -0.00028   0.00053   0.00025   1.92941
   A84        1.89208   0.00007  -0.00001  -0.00006  -0.00007   1.89201
   A85        1.90095   0.00004   0.00000   0.00004   0.00004   1.90099
   A86        1.89166   0.00004   0.00018  -0.00044  -0.00026   1.89140
   A87        1.93075  -0.00003  -0.00003   0.00029   0.00026   1.93101
   A88        1.94137   0.00011   0.00018  -0.00001   0.00017   1.94153
   A89        1.91591  -0.00004  -0.00006   0.00035   0.00029   1.91620
   A90        1.89300  -0.00003  -0.00003  -0.00035  -0.00038   1.89262
   A91        1.89350   0.00001  -0.00005   0.00000  -0.00005   1.89345
   A92        1.88811  -0.00003  -0.00001  -0.00030  -0.00031   1.88780
   A93        1.96296  -0.00004  -0.00059   0.00143   0.00091   1.96386
   A94        1.90487   0.00003   0.00031   0.00128   0.00156   1.90643
   A95        1.89936  -0.00005   0.00026  -0.00325  -0.00300   1.89636
   A96        1.91103  -0.00004   0.00000  -0.00001  -0.00007   1.91097
   A97        1.90317   0.00008   0.00004   0.00022   0.00028   1.90344
   A98        1.88064   0.00002   0.00001   0.00026   0.00028   1.88093
   A99        2.09526  -0.00005   0.00024   0.00002   0.00024   2.09550
   A100       2.10544  -0.00002  -0.00020  -0.00056  -0.00076   2.10468
   A101       2.08246   0.00007   0.00001   0.00052   0.00053   2.08299
   A102       2.09986   0.00002   0.00000  -0.00035  -0.00035   2.09950
   A103       2.10254  -0.00003   0.00005   0.00016   0.00021   2.10276
   A104       2.08065   0.00001  -0.00005   0.00019   0.00015   2.08080
   A105       2.13669   0.00024   0.00001   0.00077   0.00079   2.13748
   A106       2.06258   0.00010   0.00026   0.00007   0.00034   2.06292
   A107       2.08212  -0.00033  -0.00003  -0.00100  -0.00102   2.08110
   A108       2.10056  -0.00005   0.00005  -0.00037  -0.00032   2.10024
   A109       2.08980  -0.00001   0.00003  -0.00009  -0.00006   2.08974
   A110       2.09282   0.00006  -0.00008   0.00046   0.00038   2.09320
   A111       2.09782  -0.00009   0.00008  -0.00039  -0.00031   2.09751
   A112       2.09945  -0.00002  -0.00009  -0.00034  -0.00043   2.09902
   A113       2.08591   0.00010   0.00001   0.00072   0.00072   2.08663
   A114       2.10076  -0.00002   0.00002  -0.00010  -0.00008   2.10068
   A115       2.08836   0.00002  -0.00003  -0.00001  -0.00004   2.08832
   A116       2.09405   0.00000   0.00001   0.00011   0.00013   2.09417
   A117       2.10024   0.00000   0.00000  -0.00008  -0.00008   2.10017
   A118       2.09103   0.00001  -0.00003   0.00007   0.00004   2.09107
   A119       2.09192  -0.00001   0.00003   0.00001   0.00003   2.09195
   A120       1.93879  -0.00019  -0.00050   0.00096   0.00046   1.93925
   A121       1.87155   0.00010   0.00054  -0.00080  -0.00026   1.87129
   A122       1.95653   0.00002  -0.00007  -0.00042  -0.00050   1.95604
   A123       1.88356  -0.00001   0.00035  -0.00125  -0.00090   1.88266
   A124       1.89144   0.00006  -0.00033   0.00070   0.00036   1.89181
   A125       1.92076   0.00001   0.00005   0.00077   0.00082   1.92157
   A126       2.09606   0.00001  -0.00007   0.00004  -0.00003   2.09603
   A127       2.09207   0.00001  -0.00001   0.00006   0.00006   2.09213
   A128       2.09506  -0.00003   0.00008  -0.00011  -0.00003   2.09503
   A129       2.09823   0.00000   0.00002  -0.00015  -0.00013   2.09811
   A130       2.08886  -0.00002  -0.00001   0.00001   0.00000   2.08886
   A131       2.09609   0.00002  -0.00001   0.00014   0.00013   2.09622
   A132       2.09124   0.00005  -0.00009   0.00034   0.00025   2.09149
   A133       2.09581  -0.00004   0.00006  -0.00021  -0.00015   2.09566
   A134       2.09614  -0.00001   0.00003  -0.00013  -0.00010   2.09604
   A135       2.09666   0.00000   0.00000  -0.00006  -0.00006   2.09660
   A136       2.09201   0.00000  -0.00001   0.00005   0.00004   2.09205
   A137       2.09451  -0.00001   0.00001   0.00001   0.00002   2.09453
   A138       2.09712   0.00000   0.00002  -0.00005  -0.00004   2.09708
   A139       2.09174   0.00000  -0.00002   0.00007   0.00005   2.09179
   A140       2.09433   0.00000   0.00000  -0.00001  -0.00001   2.09432
   A141       2.09094   0.00001   0.00000   0.00010   0.00010   2.09104
   A142       2.09582   0.00000   0.00000  -0.00003  -0.00003   2.09579
   A143       2.09643   0.00000   0.00000  -0.00008  -0.00008   2.09635
   A144       2.04664   0.00040  -0.00089   0.00128   0.00038   2.04702
   A145       2.11344  -0.00021   0.00075  -0.00032   0.00043   2.11388
   A146       2.11901  -0.00020   0.00016  -0.00090  -0.00075   2.11827
   A147       2.06816   0.00003  -0.00012   0.00026   0.00015   2.06831
   A148       2.11149   0.00026  -0.00028   0.00154   0.00126   2.11275
   A149       2.10350  -0.00029   0.00040  -0.00180  -0.00140   2.10210
   A150       2.06805   0.00008  -0.00023   0.00084   0.00061   2.06866
   A151       2.11892   0.00010   0.00011   0.00094   0.00105   2.11997
   A152       2.09619  -0.00018   0.00012  -0.00179  -0.00167   2.09453
   A153       2.10574   0.00006  -0.00004   0.00052   0.00048   2.10622
   A154       2.08351   0.00007  -0.00020   0.00017  -0.00002   2.08349
   A155       2.09394  -0.00014   0.00024  -0.00069  -0.00046   2.09348
   A156       2.10607   0.00001   0.00013  -0.00014  -0.00001   2.10606
   A157       2.08486  -0.00008   0.00010  -0.00035  -0.00026   2.08460
   A158       2.09224   0.00007  -0.00023   0.00049   0.00026   2.09250
   A159       1.93973   0.00000   0.00008  -0.00041  -0.00034   1.93939
   A160       1.92193  -0.00007   0.00012  -0.00072  -0.00060   1.92133
   A161       1.92554   0.00003   0.00004   0.00111   0.00114   1.92669
   A162       1.89025  -0.00001  -0.00006  -0.00032  -0.00038   1.88987
   A163       1.89451  -0.00005   0.00021  -0.00079  -0.00058   1.89393
   A164       1.89072   0.00010  -0.00041   0.00116   0.00075   1.89147
   A165       1.93803  -0.00001  -0.00001  -0.00021  -0.00021   1.93782
   A166       1.92656  -0.00002   0.00009   0.00010   0.00019   1.92674
   A167       1.92416  -0.00001   0.00016   0.00033   0.00048   1.92464
   A168       1.89412   0.00001  -0.00009  -0.00052  -0.00061   1.89351
   A169       1.88950   0.00001  -0.00013  -0.00016  -0.00029   1.88920
   A170       1.89027   0.00002  -0.00002   0.00046   0.00044   1.89071
   A171       2.09918   0.00002   0.00010  -0.00062  -0.00051   2.09867
   A172       2.09289  -0.00011   0.00017  -0.00013   0.00004   2.09293
   A173       2.09110   0.00009  -0.00028   0.00074   0.00047   2.09157
    D1       -0.43394   0.00021   0.00903   0.07237   0.08141  -0.35253
    D2       -2.57238   0.00029   0.00905   0.06832   0.07736  -2.49502
    D3        1.68178   0.00029   0.00890   0.07048   0.07938   1.76115
    D4        2.40164   0.00002   0.00029  -0.00657  -0.00628   2.39536
    D5       -1.82729  -0.00003   0.00075  -0.00802  -0.00726  -1.83455
    D6        0.28264   0.00005   0.00112  -0.00785  -0.00673   0.27592
    D7       -2.10338   0.00003  -0.00178  -0.00823  -0.01001  -2.11339
    D8        1.13397   0.00005  -0.00199  -0.00876  -0.01075   1.12322
    D9        0.92886  -0.00003  -0.00298   0.00158  -0.00145   0.92741
   D10       -1.22514  -0.00059  -0.00211  -0.00088  -0.00304  -1.22818
   D11        2.99152   0.00004  -0.00433   0.00253  -0.00184   2.98968
   D12       -2.68635   0.00009  -0.01610  -0.01619  -0.03225  -2.71860
   D13        1.44283  -0.00048  -0.01523  -0.01865  -0.03384   1.40900
   D14       -0.62369   0.00016  -0.01744  -0.01524  -0.03264  -0.65633
   D15        2.49248  -0.00014  -0.01017  -0.00939  -0.01955   2.47293
   D16       -1.67612  -0.00015  -0.00987  -0.01087  -0.02072  -1.69683
   D17        0.35919   0.00000  -0.01022  -0.00960  -0.01980   0.33940
   D18       -0.16168  -0.00002   0.00338   0.00905   0.01232  -0.14936
   D19        1.95291  -0.00003   0.00368   0.00756   0.01116   1.96407
   D20       -2.29497   0.00012   0.00334   0.00883   0.01208  -2.28289
   D21        0.18605  -0.00038   0.00601   0.00408   0.01005   0.19610
   D22       -3.01338  -0.00026   0.00741  -0.00453   0.00277  -3.01061
   D23        2.84382  -0.00009  -0.00749  -0.01309  -0.02051   2.82331
   D24       -0.35561   0.00003  -0.00609  -0.02171  -0.02778  -0.38339
   D25       -0.98557  -0.00064   0.00149   0.00813   0.00961  -0.97595
   D26        3.11512  -0.00021   0.00264   0.01041   0.01305   3.12817
   D27        1.06455  -0.00025   0.00375   0.01106   0.01481   1.07936
   D28        2.30635  -0.00051   0.00195   0.00770   0.00964   2.31599
   D29        0.12386  -0.00009   0.00310   0.00997   0.01308   0.13693
   D30       -1.92671  -0.00012   0.00421   0.01063   0.01484  -1.91187
   D31        0.18231  -0.00034  -0.00202   0.00008  -0.00195   0.18036
   D32       -3.03248  -0.00022  -0.00303   0.00507   0.00204  -3.03044
   D33       -3.11190  -0.00045  -0.00258   0.00059  -0.00199  -3.11389
   D34       -0.04350  -0.00034  -0.00359   0.00558   0.00200  -0.04151
   D35       -1.68264  -0.00003   0.00432  -0.00675  -0.00244  -1.68508
   D36        2.45692  -0.00007   0.00488  -0.00631  -0.00143   2.45549
   D37        0.36866   0.00002   0.00464  -0.00585  -0.00121   0.36745
   D38        1.13321   0.00002  -0.00010  -0.01122  -0.01132   1.12189
   D39       -1.01041  -0.00002   0.00046  -0.01077  -0.01031  -1.02073
   D40       -3.09868   0.00007   0.00022  -0.01032  -0.01009  -3.10877
   D41       -0.13804   0.00018   0.00000  -0.00169  -0.00168  -0.13972
   D42        3.06919   0.00002  -0.00491   0.00109  -0.00382   3.06537
   D43       -2.94774   0.00015   0.00444   0.00304   0.00748  -2.94026
   D44        0.25949  -0.00001  -0.00048   0.00582   0.00534   0.26483
   D45       -2.95979   0.00016   0.00631   0.01659   0.02286  -2.93693
   D46        0.23860   0.00005   0.00497   0.02501   0.03001   0.26861
   D47       -0.03897  -0.00009   0.00130  -0.03345  -0.03207  -0.07104
   D48       -3.12376  -0.00020  -0.00004  -0.02503  -0.02492   3.13450
   D49        0.37996  -0.00008  -0.00118  -0.01455  -0.01563   0.36433
   D50        2.50442  -0.00013  -0.00136  -0.01272  -0.01402   2.49040
   D51       -1.73073  -0.00012  -0.00102  -0.01352  -0.01450  -1.74523
   D52       -2.53480   0.00016   0.00396   0.03683   0.04081  -2.49400
   D53       -0.41034   0.00010   0.00377   0.03866   0.04242  -0.36792
   D54        1.63769   0.00011   0.00411   0.03786   0.04193   1.67963
   D55       -0.89261  -0.00005   0.00712  -0.02169  -0.01456  -0.90718
   D56        1.23757   0.00018   0.00674  -0.01617  -0.00943   1.22814
   D57       -3.02557   0.00019   0.00716  -0.01725  -0.01009  -3.03566
   D58        1.30733  -0.00027   0.00491  -0.02322  -0.01831   1.28902
   D59       -2.84568  -0.00005   0.00453  -0.01770  -0.01317  -2.85885
   D60       -0.82562  -0.00004   0.00495  -0.01878  -0.01383  -0.83946
   D61       -2.95840  -0.00031   0.00470  -0.02315  -0.01846  -2.97686
   D62       -0.82822  -0.00009   0.00432  -0.01764  -0.01332  -0.84155
   D63        1.19183  -0.00008   0.00474  -0.01872  -0.01398   1.17785
   D64       -1.05206  -0.00003  -0.00137  -0.01120  -0.01258  -1.06464
   D65        1.09112   0.00001  -0.00285  -0.01053  -0.01338   1.07774
   D66        3.12596  -0.00001  -0.00203  -0.01130  -0.01332   3.11264
   D67        2.99901  -0.00009  -0.00040  -0.01149  -0.01189   2.98711
   D68       -1.14100  -0.00004  -0.00188  -0.01081  -0.01270  -1.15369
   D69        0.89384  -0.00007  -0.00106  -0.01158  -0.01264   0.88120
   D70        0.99887  -0.00008  -0.00127  -0.01246  -0.01374   0.98513
   D71       -3.14113  -0.00003  -0.00276  -0.01179  -0.01454   3.12751
   D72       -1.10629  -0.00006  -0.00193  -0.01256  -0.01449  -1.12078
   D73        3.02913   0.00033   0.00259  -0.00267  -0.00008   3.02905
   D74        0.91272   0.00046   0.00288  -0.00274   0.00014   0.91287
   D75       -1.19451   0.00039   0.00178  -0.00243  -0.00064  -1.19516
   D76       -1.08775  -0.00024   0.00292  -0.00174   0.00118  -1.08657
   D77        3.07903  -0.00010   0.00321  -0.00181   0.00140   3.08043
   D78        0.97179  -0.00018   0.00211  -0.00150   0.00061   0.97241
   D79        0.96693  -0.00012   0.00306  -0.00294   0.00011   0.96704
   D80       -1.14948   0.00001   0.00335  -0.00302   0.00033  -1.14914
   D81        3.02647  -0.00006   0.00225  -0.00271  -0.00045   3.02602
   D82        1.69349   0.00032  -0.01523   0.01099  -0.00426   1.68923
   D83       -1.37575   0.00020  -0.01426   0.00596  -0.00831  -1.38406
   D84       -0.51237  -0.00010  -0.01451   0.00855  -0.00596  -0.51833
   D85        2.70157  -0.00023  -0.01354   0.00352  -0.01001   2.69155
   D86       -2.54503  -0.00008  -0.01332   0.00824  -0.00507  -2.55010
   D87        0.66891  -0.00020  -0.01234   0.00320  -0.00913   0.65978
   D88        1.74193   0.00025   0.00806  -0.00508   0.00297   1.74490
   D89       -2.44720   0.00014   0.00769   0.00091   0.00860  -2.43860
   D90       -0.34877   0.00016   0.00858  -0.00191   0.00667  -0.34211
   D91       -0.38026   0.00005   0.00807  -0.00944  -0.00137  -0.38163
   D92        1.71379  -0.00007   0.00771  -0.00345   0.00426   1.71805
   D93       -2.47097  -0.00004   0.00860  -0.00627   0.00233  -2.46864
   D94       -2.43538   0.00004   0.00715  -0.00770  -0.00056  -2.43594
   D95       -0.34133  -0.00007   0.00678  -0.00171   0.00507  -0.33626
   D96        1.75710  -0.00005   0.00767  -0.00453   0.00314   1.76024
   D97       -1.16052   0.00025  -0.00070   0.01498   0.01428  -1.14624
   D98        1.01127   0.00012  -0.00141   0.01454   0.01314   1.02441
   D99        3.06546   0.00025  -0.00139   0.01454   0.01315   3.07861
   D100       2.96781  -0.00013  -0.00025   0.00716   0.00691   2.97473
   D101      -1.14358  -0.00025  -0.00096   0.00673   0.00577  -1.13781
   D102       0.91061  -0.00012  -0.00093   0.00672   0.00578   0.91639
   D103       0.85531   0.00003  -0.00106   0.01053   0.00947   0.86478
   D104       3.02710  -0.00010  -0.00177   0.01010   0.00833   3.03543
   D105      -1.20190   0.00003  -0.00174   0.01009   0.00834  -1.19355
   D106      -1.06330   0.00004  -0.00007  -0.00385  -0.00392  -1.06721
   D107       3.13109   0.00003  -0.00013  -0.00372  -0.00385   3.12723
   D108       1.04602   0.00004  -0.00026  -0.00346  -0.00372   1.04230
   D109       1.07052   0.00001  -0.00047  -0.00301  -0.00348   1.06704
   D110      -1.01828   0.00001  -0.00053  -0.00288  -0.00341  -1.02169
   D111      -3.10334   0.00002  -0.00066  -0.00263  -0.00328  -3.10663
   D112      -3.12264  -0.00008   0.00162  -0.00574  -0.00413  -3.12677
   D113       1.07174  -0.00009   0.00155  -0.00562  -0.00406   1.06768
   D114      -1.01332  -0.00008   0.00143  -0.00536  -0.00393  -1.01725
   D115       0.90632  -0.00002  -0.00076  -0.00717  -0.00793   0.89839
   D116      -1.19872  -0.00003  -0.00082  -0.00691  -0.00774  -1.20646
   D117       2.99539  -0.00004  -0.00088  -0.00676  -0.00764   2.98774
   D118      -1.20175  -0.00005   0.00079  -0.00852  -0.00773  -1.20949
   D119       2.97638  -0.00007   0.00072  -0.00826  -0.00754   2.96884
   D120       0.88731  -0.00008   0.00066  -0.00811  -0.00745   0.87986
   D121       3.00262   0.00008  -0.00089  -0.00585  -0.00674   2.99588
   D122       0.89757   0.00006  -0.00095  -0.00559  -0.00654   0.89102
   D123      -1.19151   0.00006  -0.00101  -0.00544  -0.00645  -1.19796
   D124      -1.05523   0.00005   0.00475  -0.00376   0.00099  -1.05424
   D125       1.10185  -0.00002   0.00459  -0.00410   0.00049   1.10234
   D126       3.12604   0.00000   0.00481  -0.00380   0.00101   3.12705
   D127       3.05605   0.00008   0.00510  -0.00287   0.00223   3.05828
   D128      -1.07006   0.00000   0.00494  -0.00322   0.00172  -1.06834
   D129       0.95414   0.00002   0.00516  -0.00291   0.00225   0.95638
   D130       1.02104  -0.00007   0.00522  -0.00381   0.00141   1.02245
   D131      -3.10507  -0.00015   0.00506  -0.00415   0.00091  -3.10416
   D132      -1.08087  -0.00013   0.00528  -0.00385   0.00143  -1.07944
   D133      -1.51676  -0.00017   0.00071  -0.01407  -0.01336  -1.53012
   D134       1.63351  -0.00016  -0.00325  -0.01232  -0.01557   1.61794
   D135       2.62378  -0.00005   0.00230  -0.01328  -0.01098   2.61279
   D136      -0.50914  -0.00003  -0.00166  -0.01153  -0.01320  -0.52233
   D137       0.56765  -0.00014   0.00089  -0.01209  -0.01120   0.55645
   D138      -2.56527  -0.00012  -0.00307  -0.01035  -0.01341  -2.57868
   D139       0.74672   0.00005   0.00039   0.00000   0.00033   0.74705
   D140       2.84242   0.00008   0.00019   0.00060   0.00077   2.84319
   D141      -1.38180   0.00003   0.00039  -0.00050  -0.00014  -1.38193
   D142      -1.34653  -0.00014   0.00066   0.00171   0.00233  -1.34420
   D143       0.74916  -0.00011   0.00047   0.00231   0.00277   0.75194
   D144       2.80813  -0.00016   0.00067   0.00121   0.00187   2.81000
   D145       2.88720   0.00000   0.00012   0.00178   0.00186   2.88906
   D146      -1.30029   0.00003  -0.00007   0.00238   0.00231  -1.29798
   D147       0.75868  -0.00002   0.00013   0.00129   0.00140   0.76008
   D148      -0.84781   0.00004  -0.00131   0.00206   0.00071  -0.84710
   D149      -2.96877   0.00006  -0.00130  -0.00052  -0.00183  -2.97060
   D150       1.26069   0.00001  -0.00134  -0.00096  -0.00230   1.25840
   D151      -2.94099   0.00002  -0.00128   0.00183   0.00051  -2.94048
   D152       1.22124   0.00004  -0.00128  -0.00075  -0.00203   1.21921
   D153      -0.83248  -0.00001  -0.00132  -0.00119  -0.00250  -0.83498
   D154       1.27758  -0.00001  -0.00136   0.00269   0.00129   1.27887
   D155      -0.84338   0.00001  -0.00136   0.00011  -0.00125  -0.84462
   D156      -2.89710  -0.00004  -0.00139  -0.00033  -0.00171  -2.89882
   D157      -1.20058   0.00000  -0.00064  -0.00622  -0.00687  -1.20744
   D158       1.95884  -0.00002  -0.00094  -0.00636  -0.00730   1.95154
   D159       2.94164  -0.00001  -0.00013  -0.00588  -0.00602   2.93562
   D160      -0.18213  -0.00003  -0.00043  -0.00601  -0.00645  -0.18858
   D161       0.88379   0.00004  -0.00064  -0.00623  -0.00686   0.87693
   D162      -2.23998   0.00003  -0.00094  -0.00636  -0.00730  -2.24728
   D163      -3.13300   0.00004  -0.00222   0.00149  -0.00074  -3.13374
   D164       0.00630   0.00003  -0.00245   0.00056  -0.00189   0.00441
   D165       0.00003   0.00002   0.00168  -0.00024   0.00144   0.00147
   D166       3.13933   0.00001   0.00146  -0.00117   0.00028   3.13961
   D167       3.13488  -0.00005   0.00320  -0.00202   0.00118   3.13606
   D168      -0.00984  -0.00011   0.00110  -0.00450  -0.00340  -0.01324
   D169       0.00190  -0.00004  -0.00074  -0.00028  -0.00102   0.00088
   D170       3.14037  -0.00010  -0.00284  -0.00276  -0.00560   3.13477
   D171      -3.12388  -0.00002   0.00002  -0.00007  -0.00005  -3.12393
   D172       0.02399  -0.00003   0.00024  -0.00006   0.00018   0.02417
   D173       0.00012   0.00000   0.00031   0.00006   0.00037   0.00049
   D174      -3.13520  -0.00002   0.00054   0.00007   0.00060  -3.13460
   D175       3.12202   0.00002  -0.00001   0.00034   0.00033   3.12235
   D176      -0.01894   0.00000  -0.00015   0.00002  -0.00013  -0.01908
   D177      -0.00195   0.00001  -0.00030   0.00021  -0.00009  -0.00204
   D178       3.14028  -0.00001  -0.00045  -0.00011  -0.00056   3.13972
   D179       2.75844  -0.00005  -0.00011  -0.01386  -0.01397   2.74447
   D180       0.71149  -0.00006  -0.00070  -0.01268  -0.01338   0.69812
   D181      -1.36806  -0.00010  -0.00076  -0.01329  -0.01405  -1.38211
   D182      -0.44599   0.00011   0.00459  -0.01650  -0.01190  -0.45790
   D183      -2.49294   0.00010   0.00401  -0.01531  -0.01131  -2.50425
   D184       1.71069   0.00006   0.00394  -0.01592  -0.01198   1.69871
   D185      -0.00133   0.00001  -0.00130   0.00050  -0.00080  -0.00212
   D186       3.13939   0.00000  -0.00021  -0.00092  -0.00113   3.13825
   D187      -3.14062   0.00002  -0.00107   0.00143   0.00036  -3.14026
   D188       0.00009   0.00001   0.00001   0.00001   0.00003   0.00012
   D189      -0.00255   0.00002  -0.00059   0.00055  -0.00005  -0.00259
   D190       3.13674   0.00001  -0.00154  -0.00011  -0.00165   3.13509
   D191      -3.14104   0.00008   0.00149   0.00301   0.00450  -3.13654
   D192      -0.00176   0.00007   0.00055   0.00235   0.00290   0.00114
   D193       0.00172   0.00000  -0.00012  -0.00022  -0.00034   0.00139
   D194      -3.13839   0.00000  -0.00006  -0.00025  -0.00031  -3.13869
   D195       3.13702   0.00001  -0.00034  -0.00022  -0.00057   3.13645
   D196      -0.00309   0.00001  -0.00028  -0.00025  -0.00054  -0.00363
   D197       0.00195  -0.00001   0.00010  -0.00034  -0.00024   0.00171
   D198      -3.13970  -0.00001   0.00007  -0.00042  -0.00035  -3.14005
   D199      -3.14028   0.00001   0.00025  -0.00002   0.00023  -3.14005
   D200       0.00126   0.00001   0.00022  -0.00010   0.00012   0.00137
   D201       0.00069  -0.00002  -0.00004  -0.00023  -0.00028   0.00041
   D202      -3.14106  -0.00002   0.00159  -0.00108   0.00051  -3.14055
   D203      -3.14002  -0.00001  -0.00113   0.00119   0.00006  -3.13996
   D204       0.00141  -0.00001   0.00050   0.00034   0.00085   0.00226
   D205       0.00124   0.00001   0.00099  -0.00029   0.00070   0.00194
   D206      -3.14019   0.00000  -0.00065   0.00056  -0.00009  -3.14028
   D207      -3.13803   0.00002   0.00194   0.00037   0.00231  -3.13572
   D208       0.00372   0.00001   0.00030   0.00122   0.00152   0.00524
   D209      -0.00173   0.00000  -0.00009   0.00010   0.00001  -0.00173
   D210       3.14017   0.00001  -0.00006   0.00003  -0.00004   3.14013
   D211       3.13838   0.00000  -0.00015   0.00013  -0.00002   3.13835
   D212      -0.00291   0.00001  -0.00012   0.00005  -0.00007  -0.00297
   D213      -0.00010   0.00000   0.00010   0.00018   0.00028   0.00018
   D214       3.14119   0.00000   0.00007   0.00025   0.00032   3.14151
   D215       3.14155   0.00001   0.00013   0.00026   0.00039  -3.14124
   D216      -0.00035   0.00000   0.00010   0.00034   0.00044   0.00009
   D217      -3.05724   0.00002   0.00008  -0.00212  -0.00203  -3.05927
   D218       0.07597   0.00002   0.00054  -0.00166  -0.00111   0.07485
   D219      -0.01172  -0.00001   0.00033  -0.00155  -0.00122  -0.01294
   D220       3.12148   0.00000   0.00079  -0.00109  -0.00030   3.12118
   D221       3.06022   0.00002  -0.00020   0.00289   0.00269   3.06291
   D222      -0.07469   0.00004  -0.00010   0.00376   0.00367  -0.07102
   D223       0.01837   0.00001  -0.00036   0.00221   0.00185   0.02022
   D224      -3.11653   0.00003  -0.00025   0.00308   0.00283  -3.11370
   D225      -0.00339   0.00000  -0.00008  -0.00007  -0.00015  -0.00354
   D226       3.14012   0.00000   0.00021  -0.00068  -0.00048   3.13964
   D227      -3.13663  -0.00001  -0.00053  -0.00054  -0.00107  -3.13771
   D228       0.00687  -0.00001  -0.00025  -0.00116  -0.00140   0.00547
   D229      -2.89276   0.00001   0.00168   0.01839   0.02007  -2.87269
   D230       1.29579   0.00007   0.00162   0.01954   0.02115   1.31695
   D231      -0.79037  -0.00003   0.00202   0.01786   0.01988  -0.77049
   D232       0.24028   0.00002   0.00214   0.01887   0.02101   0.26129
   D233      -1.85436   0.00008   0.00208   0.02001   0.02210  -1.83226
   D234       2.34266  -0.00002   0.00249   0.01834   0.02083   2.36349
   D235      -0.01008  -0.00001   0.00014  -0.00126  -0.00112  -0.01121
   D236       3.13846  -0.00002   0.00041  -0.00152  -0.00111   3.13735
   D237       3.12492  -0.00003   0.00003  -0.00212  -0.00208   3.12283
   D238      -0.00973  -0.00003   0.00030  -0.00237  -0.00207  -0.01180
   D239       2.82320   0.00000  -0.00016  -0.00268  -0.00285   2.82036
   D240       0.72175   0.00000  -0.00010  -0.00196  -0.00206   0.71969
   D241      -1.36592   0.00000  -0.00023  -0.00281  -0.00304  -1.36895
   D242      -0.31160   0.00001  -0.00005  -0.00180  -0.00186  -0.31346
   D243      -2.41305   0.00002   0.00001  -0.00108  -0.00107  -2.41412
   D244       1.78247   0.00001  -0.00012  -0.00193  -0.00205   1.78042
   D245       0.01152   0.00001  -0.00013   0.00099   0.00086   0.01238
   D246      -3.13455   0.00001   0.00005   0.00034   0.00039  -3.13416
   D247      -3.13200   0.00001  -0.00042   0.00161   0.00119  -3.13081
   D248       0.00512   0.00001  -0.00023   0.00096   0.00072   0.00584
   D249      -0.00461   0.00000   0.00010  -0.00031  -0.00021  -0.00482
   D250       3.14145   0.00000  -0.00009   0.00034   0.00026  -3.14148
   D251       3.13000   0.00001  -0.00016  -0.00006  -0.00022   3.12978
   D252      -0.00713   0.00001  -0.00035   0.00060   0.00025  -0.00688
         Item               Value     Threshold  Converged?
 Maximum Force            0.001234     0.000450     NO 
 RMS     Force            0.000173     0.000300     YES
 Maximum Displacement     0.171843     0.001800     NO 
 RMS     Displacement     0.029425     0.001200     NO 
 Predicted change in Energy=-9.678072D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.077786   -0.084928   -1.455378
      2          8           0       -3.045865    0.053586   -2.517542
      3          8           0       -3.475645   -1.983675    1.475561
      4          8           0        2.002540    1.853649    2.234326
      5          8           0        3.490768   -1.245224    1.323599
      6          7           0       -3.143959   -2.682955   -0.725543
      7          7           0       -3.187378    0.408078   -0.248729
      8          7           0        2.143452    0.883805    0.152654
      9          7           0       -1.776718   -3.473740    1.115835
     10          6           0       -2.680772    1.762645   -0.228290
     11          6           0       -4.112497   -1.696668   -1.167601
     12          6           0       -1.345787    1.963754   -0.966820
     13          6           0       -0.243264    0.998989   -0.548919
     14          6           0       -4.878492   -2.086912   -2.450763
     15          6           0        1.134548    1.723111   -0.451901
     16          6           0       -2.550485    2.289361    1.217018
     17          6           0       -3.423185   -0.318843   -1.384602
     18          6           0       -2.159142   -3.133270   -1.691726
     19          6           0       -0.760545   -3.359909   -1.126029
     20          6           0        1.550727    2.202014   -1.854836
     21          6           0       -2.808605   -2.666212    0.651927
     22          6           0       -5.960903   -1.055689   -2.711019
     23          6           0       -5.500462   -3.461572   -2.327962
     24          6           0       -0.829848   -4.076226    0.220622
     25          6           0       -3.861082    2.319872    1.921563
     26          6           0        2.801905    3.004982   -1.845822
     27          6           0        2.458082    0.960714    1.488093
     28          6           0       -4.686934    3.446095    1.818440
     29          6           0       -4.278114    1.231982    2.697874
     30          6           0        2.817055    4.283045   -1.273003
     31          6           0        3.971954    2.502784   -2.426990
     32          6           0        3.464150   -0.027953    2.076074
     33          6           0       -5.910884    3.484491    2.483257
     34          6           0       -5.504992    1.272399    3.359771
     35          6           0       -6.322158    2.397507    3.254932
     36          6           0        3.983344    5.045215   -1.282484
     37          6           0        5.137496    3.267783   -2.437086
     38          6           0        5.145566    4.539530   -1.865443
     39          6           0        4.769522   -1.745898    1.090301
     40          6           0        5.162757   -1.912413   -0.251734
     41          6           0        5.586151   -2.176267    2.151123
     42          6           0        6.400947   -2.506025   -0.515543
     43          6           0        6.822431   -2.758081    1.849199
     44          6           0        4.286039   -1.479902   -1.363742
     45          6           0        5.159435   -2.033940    3.562025
     46          6           0        7.227638   -2.918966    0.526811
     47          1           0       -3.437798    2.419108   -0.762853
     48          1           0       -4.882875   -1.596394   -0.340131
     49          1           0       -1.531491    1.861700   -2.071211
     50          1           0       -1.019483    3.019295   -0.776440
     51          1           0       -0.486055    0.554586    0.459811
     52          1           0       -4.157695   -2.074663   -3.316134
     53          1           0        0.991663    2.626244    0.215513
     54          1           0       -3.498895    0.033766    0.625899
     55          1           0       -1.819725    1.657887    1.789046
     56          1           0       -2.126061    3.327354    1.165371
     57          1           0       -2.544742   -4.103077   -2.121948
     58          1           0       -2.087749   -2.381537   -2.532094
     59          1           0       -0.175372   -3.985932   -1.845624
     60          1           0       -0.229518   -2.376334   -1.014753
     61          1           0        1.655091    1.310838   -2.530098
     62          1           0        0.711786    2.830943   -2.258043
     63          1           0       -6.690584   -1.024437   -1.866708
     64          1           0       -6.513663   -1.317487   -3.645140
     65          1           0       -5.512567   -0.040713   -2.840001
     66          1           0       -6.101063   -3.539413   -1.389961
     67          1           0       -4.719706   -4.258873   -2.314377
     68          1           0       -6.175917   -3.650285   -3.197853
     69          1           0        0.189234   -4.072811    0.701112
     70          1           0       -1.127332   -5.152461    0.051000
     71          1           0        2.393081    0.059532   -0.347415
     72          1           0       -1.572466   -3.425382    2.085110
     73          1           0       -0.888039   -0.175108   -1.976923
     74          1           0       -4.364689    4.305225    1.211686
     75          1           0       -3.642762    0.334996    2.784372
     76          1           0        1.903233    4.682083   -0.808411
     77          1           0        3.971421    1.499304   -2.878150
     78          1           0        3.125807   -0.286884    3.115383
     79          1           0        4.468498    0.467949    2.110404
     80          1           0       -6.551954    4.374039    2.399511
     81          1           0       -5.827394    0.410531    3.962589
     82          1           0       -7.288418    2.427783    3.778556
     83          1           0        3.986834    6.046636   -0.827965
     84          1           0        6.051929    2.866021   -2.897128
     85          1           0        6.065003    5.142106   -1.873720
     86          1           0        6.721665   -2.644806   -1.559049
     87          1           0        7.475312   -3.096563    2.667931
     88          1           0        4.614685   -1.927833   -2.333060
     89          1           0        4.314406   -0.364388   -1.464521
     90          1           0        3.228439   -1.789740   -1.169573
     91          1           0        5.751718   -2.706343    4.229898
     92          1           0        4.076035   -2.291674    3.669577
     93          1           0        5.306336   -0.979324    3.907159
     94          1           0        8.202392   -3.378217    0.305026
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0844858      0.0409319      0.0357213
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3236.7569330198 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246369249690     A.U. after   13 cycles
             Convg  =    0.9918D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000094970    0.000822195    0.000450699
      2        8           0.000121717    0.000072027   -0.000321634
      3        8          -0.000029586    0.001185401   -0.000932369
      4        8           0.000167784    0.000025600    0.000286512
      5        8          -0.000245947    0.000148599   -0.000078034
      6        7           0.000920555   -0.001736647   -0.000870480
      7        7          -0.000019248   -0.000671330   -0.001052267
      8        7          -0.000147687    0.000166943   -0.000172016
      9        7           0.000726965    0.000772172    0.000523435
     10        6          -0.000144300    0.000276536    0.000274710
     11        6          -0.000760170    0.001104765    0.001174043
     12        6           0.000411885    0.000450347    0.000078877
     13        6          -0.000454494   -0.000026307    0.000218450
     14        6          -0.000075026   -0.000166439   -0.000535755
     15        6           0.000221526   -0.000256372   -0.000158274
     16        6          -0.000520787    0.000355969   -0.000149454
     17        6          -0.000163921   -0.001274122    0.000647930
     18        6          -0.000123030    0.001008494    0.000080888
     19        6           0.000347671    0.000254972   -0.000131186
     20        6           0.000249772   -0.000243885   -0.000199491
     21        6          -0.000350163   -0.000512032    0.001445640
     22        6           0.000226972    0.000008737    0.000098974
     23        6          -0.000008486   -0.000040086   -0.000079232
     24        6          -0.000283684   -0.000300941    0.000066171
     25        6           0.000016143   -0.000517420    0.000122546
     26        6           0.000028139    0.000236996    0.000099165
     27        6          -0.000253900   -0.000154936   -0.000114314
     28        6           0.000226430   -0.000053449   -0.000219835
     29        6          -0.000247994    0.000416644    0.000017017
     30        6           0.000120967   -0.000007788    0.000000350
     31        6          -0.000143902    0.000054142   -0.000046998
     32        6          -0.000156081   -0.000438393    0.000028939
     33        6           0.000108937    0.000143349   -0.000026170
     34        6          -0.000098263   -0.000180828    0.000050567
     35        6           0.000024646   -0.000140907    0.000067404
     36        6           0.000045422    0.000035759    0.000080283
     37        6          -0.000053919    0.000000190   -0.000080632
     38        6          -0.000025766    0.000053604    0.000075034
     39        6          -0.000208808   -0.000193136    0.000269538
     40        6          -0.000327361    0.000016073    0.000044883
     41        6           0.000276627    0.000234071   -0.000382544
     42        6           0.000023262   -0.000081664    0.000106794
     43        6           0.000060324   -0.000020986    0.000051842
     44        6           0.000126919    0.000105792   -0.000364265
     45        6           0.000073865   -0.000098018    0.000193721
     46        6           0.000001528    0.000059723   -0.000030194
     47        1           0.000098943   -0.000250507    0.000121941
     48        1          -0.000125301    0.000152208   -0.000067057
     49        1          -0.000032899    0.000057810    0.000200893
     50        1          -0.000209591   -0.000113567   -0.000343662
     51        1           0.000331448    0.000127819    0.000108524
     52        1          -0.000061236    0.000132836    0.000121089
     53        1           0.000225890   -0.000090782   -0.000272387
     54        1          -0.000062110   -0.000167675   -0.000049371
     55        1           0.000135235    0.000161834   -0.000215765
     56        1          -0.000137877   -0.000096901    0.000180864
     57        1           0.000092211   -0.000204494    0.000190857
     58        1          -0.000106432   -0.000234356    0.000027965
     59        1           0.000066054    0.000067340    0.000155683
     60        1          -0.000105285   -0.000154377   -0.000216937
     61        1          -0.000004383   -0.000158762    0.000120547
     62        1          -0.000130917   -0.000058469    0.000228897
     63        1           0.000023342    0.000130322   -0.000089994
     64        1          -0.000000922   -0.000026625    0.000189515
     65        1           0.000030769   -0.000089813   -0.000067825
     66        1          -0.000029353    0.000086301   -0.000100776
     67        1           0.000096540   -0.000049807   -0.000035218
     68        1          -0.000064659   -0.000022879    0.000024282
     69        1           0.000079042   -0.000103380   -0.000142405
     70        1           0.000016583    0.000086530    0.000028393
     71        1          -0.000019735   -0.000018874    0.000106838
     72        1           0.000147812   -0.000252160   -0.000382578
     73        1          -0.000236898   -0.000117233   -0.000305335
     74        1          -0.000043095   -0.000052854    0.000025785
     75        1           0.000345602    0.000124837   -0.000021967
     76        1          -0.000106465    0.000025021   -0.000024778
     77        1           0.000062406    0.000035287    0.000072274
     78        1           0.000106613    0.000241881   -0.000196855
     79        1          -0.000077654    0.000130277    0.000024250
     80        1          -0.000081118    0.000024472    0.000015524
     81        1           0.000073052    0.000024580   -0.000099959
     82        1          -0.000052115    0.000061579   -0.000066169
     83        1          -0.000028109   -0.000019603   -0.000067613
     84        1           0.000057325   -0.000039276    0.000027200
     85        1           0.000032210   -0.000062033   -0.000046581
     86        1           0.000080416   -0.000073076    0.000052629
     87        1          -0.000007250    0.000028372   -0.000065606
     88        1           0.000060111   -0.000087301    0.000209762
     89        1           0.000038243   -0.000069988   -0.000014884
     90        1           0.000032888    0.000066813    0.000022120
     91        1           0.000110402   -0.000001432   -0.000004733
     92        1          -0.000089055    0.000074195    0.000053307
     93        1          -0.000079656   -0.000064567   -0.000087194
     94        1          -0.000041580   -0.000052936    0.000067250
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001736647 RMS     0.000306233

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001832729 RMS     0.000291775
 Search for a local minimum.
 Step number  23 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   21   22   23
 DE=  4.98D-07 DEPred=-9.68D-05 R=-5.14D-03
 Trust test=-5.14D-03 RLast= 2.16D-01 DXMaxT set to 4.41D-01
     Eigenvalues ---    0.00053   0.00181   0.00230   0.00236   0.00241
     Eigenvalues ---    0.00253   0.00322   0.00322   0.00369   0.00400
     Eigenvalues ---    0.00411   0.00470   0.00488   0.00511   0.00545
     Eigenvalues ---    0.00649   0.00718   0.00794   0.01187   0.01235
     Eigenvalues ---    0.01333   0.01345   0.01374   0.01399   0.01442
     Eigenvalues ---    0.01474   0.01515   0.01545   0.01638   0.01690
     Eigenvalues ---    0.02000   0.02022   0.02076   0.02115   0.02128
     Eigenvalues ---    0.02142   0.02149   0.02150   0.02154   0.02161
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02176
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02185   0.02186
     Eigenvalues ---    0.02187   0.02188   0.02235   0.02282   0.02352
     Eigenvalues ---    0.02597   0.02816   0.03090   0.03168   0.03574
     Eigenvalues ---    0.03698   0.03799   0.03933   0.03990   0.04159
     Eigenvalues ---    0.04240   0.04367   0.04386   0.04648   0.04683
     Eigenvalues ---    0.04805   0.04875   0.05022   0.05051   0.05157
     Eigenvalues ---    0.05228   0.05394   0.05433   0.05439   0.05485
     Eigenvalues ---    0.05591   0.05612   0.05620   0.05683   0.05922
     Eigenvalues ---    0.05965   0.06339   0.06733   0.06773   0.07112
     Eigenvalues ---    0.07115   0.07214   0.07278   0.07375   0.07528
     Eigenvalues ---    0.07797   0.08031   0.08275   0.08617   0.09185
     Eigenvalues ---    0.09347   0.09409   0.09823   0.11025   0.11583
     Eigenvalues ---    0.12184   0.12470   0.12799   0.12892   0.14056
     Eigenvalues ---    0.15365   0.15464   0.15891   0.15951   0.15960
     Eigenvalues ---    0.15984   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16002
     Eigenvalues ---    0.16003   0.16005   0.16006   0.16010   0.16017
     Eigenvalues ---    0.16043   0.16048   0.16185   0.16281   0.16460
     Eigenvalues ---    0.16768   0.17307   0.17712   0.18860   0.19055
     Eigenvalues ---    0.19904   0.20100   0.20666   0.21090   0.21868
     Eigenvalues ---    0.21980   0.22000   0.22000   0.22001   0.22061
     Eigenvalues ---    0.22273   0.22482   0.22537   0.22903   0.23233
     Eigenvalues ---    0.23405   0.23488   0.23495   0.23650   0.24586
     Eigenvalues ---    0.24741   0.24767   0.24942   0.24984   0.25013
     Eigenvalues ---    0.25093   0.25350   0.25682   0.25756   0.26716
     Eigenvalues ---    0.26898   0.27423   0.27453   0.27733   0.28231
     Eigenvalues ---    0.28366   0.28552   0.29079   0.29672   0.29917
     Eigenvalues ---    0.30252   0.30480   0.31073   0.31727   0.32496
     Eigenvalues ---    0.32698   0.33310   0.33502   0.34300   0.34460
     Eigenvalues ---    0.34514   0.34538   0.34617   0.34644   0.34661
     Eigenvalues ---    0.34699   0.34702   0.34724   0.34730   0.34742
     Eigenvalues ---    0.34747   0.34751   0.34755   0.34760   0.34768
     Eigenvalues ---    0.34780   0.34791   0.34801   0.34804   0.34818
     Eigenvalues ---    0.34832   0.34838   0.34847   0.34869   0.34896
     Eigenvalues ---    0.34936   0.34991   0.35296   0.35665   0.35862
     Eigenvalues ---    0.35894   0.35916   0.35947   0.35967   0.35983
     Eigenvalues ---    0.35992   0.35999   0.36004   0.36024   0.36033
     Eigenvalues ---    0.36052   0.36068   0.36612   0.37342   0.39265
     Eigenvalues ---    0.40485   0.40980   0.42089   0.42237   0.42296
     Eigenvalues ---    0.42355   0.42639   0.43092   0.44556   0.44997
     Eigenvalues ---    0.45686   0.46075   0.46099   0.46134   0.46195
     Eigenvalues ---    0.46327   0.46385   0.46410   0.46669   0.46712
     Eigenvalues ---    0.46773   0.46794   0.46944   0.47283   0.48967
     Eigenvalues ---    0.49545   0.52583   0.53144   0.55648   0.58241
     Eigenvalues ---    0.58586   0.66754   0.90274   0.90950   0.93495
     Eigenvalues ---    0.979081000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    23   22   21   20   19
 RFO step:  Lambda=-7.58177611D-05.
 DIIS coeffs:      0.38348      0.62648      0.37699     -0.38049     -0.00645
 Iteration  1 RMS(Cart)=  0.02957278 RMS(Int)=  0.00010644
 Iteration  2 RMS(Cart)=  0.00023259 RMS(Int)=  0.00004230
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00004230
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68842   0.00001  -0.00025   0.00040   0.00016   2.68857
    R2        1.82889  -0.00006  -0.00014   0.00008  -0.00006   1.82884
    R3        2.36376  -0.00025  -0.00032   0.00058   0.00026   2.36402
    R4        2.38223   0.00120  -0.00007   0.00044   0.00037   2.38260
    R5        2.36156  -0.00032   0.00009  -0.00020  -0.00011   2.36145
    R6        2.70480  -0.00001  -0.00016   0.00022   0.00006   2.70486
    R7        2.63230   0.00021  -0.00007   0.00028   0.00021   2.63251
    R8        2.74254   0.00138  -0.00022   0.00056   0.00034   2.74288
    R9        2.74248  -0.00007  -0.00062   0.00023  -0.00040   2.74208
   R10        2.67926   0.00020  -0.00063   0.00113   0.00053   2.67979
   R11        2.73320  -0.00069   0.00020  -0.00033  -0.00013   2.73307
   R12        2.58708   0.00078   0.00042   0.00000   0.00042   2.58750
   R13        1.89173  -0.00014  -0.00071   0.00079   0.00009   1.89182
   R14        2.73051  -0.00050  -0.00005  -0.00067  -0.00072   2.72980
   R15        2.59678  -0.00026   0.00039  -0.00060  -0.00021   2.59657
   R16        1.88197   0.00008   0.00007  -0.00011  -0.00004   1.88194
   R17        2.62672   0.00073  -0.00022   0.00134   0.00115   2.62787
   R18        2.71290  -0.00020  -0.00058   0.00072   0.00015   2.71305
   R19        1.87412   0.00030  -0.00027   0.00062   0.00036   1.87448
   R20        2.90800  -0.00064  -0.00004   0.00024   0.00021   2.90821
   R21        2.91736   0.00034  -0.00072   0.00118   0.00047   2.91783
   R22        2.14614  -0.00006   0.00021  -0.00007   0.00014   2.14628
   R23        2.91872  -0.00049  -0.00110   0.00098  -0.00012   2.91861
   R24        2.94012   0.00133   0.00033   0.00063   0.00096   2.94108
   R25        2.14486   0.00020  -0.00019   0.00048   0.00029   2.14514
   R26        2.87895  -0.00040  -0.00019   0.00040   0.00021   2.87916
   R27        2.12506   0.00017   0.00021  -0.00003   0.00018   2.12524
   R28        2.11859   0.00039   0.00001   0.00039   0.00040   2.11899
   R29        2.94708   0.00055   0.00035   0.00089   0.00123   2.94832
   R30        2.13295   0.00017  -0.00021   0.00067   0.00046   2.13340
   R31        2.86764  -0.00029  -0.00042   0.00000  -0.00041   2.86722
   R32        2.86068  -0.00012  -0.00017  -0.00025  -0.00042   2.86027
   R33        2.12841  -0.00006   0.00008  -0.00004   0.00004   2.12845
   R34        2.90967   0.00021   0.00006   0.00045   0.00052   2.91019
   R35        2.13924   0.00016   0.00012   0.00000   0.00012   2.13936
   R36        2.81244  -0.00023  -0.00016  -0.00025  -0.00041   2.81203
   R37        2.12120   0.00019   0.00000   0.00011   0.00011   2.12131
   R38        2.12141   0.00002   0.00032  -0.00041  -0.00009   2.12131
   R39        2.88296   0.00023   0.00003   0.00009   0.00009   2.88305
   R40        2.13322   0.00008   0.00003   0.00013   0.00016   2.13338
   R41        2.13499   0.00025   0.00027  -0.00018   0.00010   2.13508
   R42        2.88540  -0.00029  -0.00003  -0.00004  -0.00009   2.88530
   R43        2.11459   0.00013   0.00004   0.00010   0.00014   2.11474
   R44        2.12272   0.00027  -0.00004   0.00026   0.00023   2.12295
   R45        2.80946  -0.00031   0.00001  -0.00058  -0.00057   2.80889
   R46        2.12211   0.00010  -0.00001   0.00016   0.00015   2.12226
   R47        2.12285   0.00015   0.00020   0.00000   0.00019   2.12304
   R48        2.10962   0.00015   0.00005   0.00015   0.00020   2.10982
   R49        2.10996   0.00017   0.00003   0.00017   0.00020   2.11016
   R50        2.11093   0.00010   0.00010   0.00003   0.00013   2.11106
   R51        2.10993   0.00013   0.00002   0.00017   0.00020   2.11012
   R52        2.10893   0.00009   0.00008   0.00012   0.00020   2.10913
   R53        2.11156   0.00005   0.00005   0.00010   0.00015   2.11171
   R54        2.12912   0.00017   0.00009   0.00002   0.00010   2.12922
   R55        2.13426   0.00008   0.00023  -0.00007   0.00015   2.13442
   R56        2.64632  -0.00006   0.00007  -0.00017  -0.00010   2.64622
   R57        2.64567   0.00044  -0.00028   0.00056   0.00027   2.64595
   R58        2.64683   0.00000   0.00001  -0.00003  -0.00002   2.64681
   R59        2.64492  -0.00007   0.00007  -0.00018  -0.00011   2.64481
   R60        2.88786  -0.00024  -0.00006  -0.00025  -0.00030   2.88755
   R61        2.63311   0.00006   0.00005  -0.00005   0.00000   2.63311
   R62        2.07878   0.00007   0.00010  -0.00002   0.00008   2.07886
   R63        2.63545  -0.00009  -0.00003   0.00003   0.00000   2.63545
   R64        2.08362   0.00033  -0.00013   0.00038   0.00025   2.08387
   R65        2.63291   0.00000   0.00000   0.00002   0.00003   2.63294
   R66        2.07883   0.00010   0.00007   0.00005   0.00012   2.07894
   R67        2.63467   0.00004   0.00001   0.00002   0.00003   2.63470
   R68        2.07914   0.00010   0.00008   0.00002   0.00010   2.07925
   R69        2.12263   0.00033   0.00008   0.00019   0.00027   2.12290
   R70        2.11768  -0.00015  -0.00005   0.00005  -0.00001   2.11768
   R71        2.63626  -0.00015  -0.00001  -0.00001  -0.00001   2.63625
   R72        2.07808   0.00007   0.00007   0.00004   0.00010   2.07818
   R73        2.63522  -0.00005   0.00009  -0.00015  -0.00006   2.63516
   R74        2.07883   0.00005   0.00008  -0.00001   0.00007   2.07890
   R75        2.07763   0.00009   0.00004   0.00008   0.00012   2.07775
   R76        2.63637   0.00000   0.00002  -0.00002   0.00000   2.63636
   R77        2.07822   0.00008   0.00006   0.00004   0.00010   2.07832
   R78        2.63492  -0.00004   0.00001  -0.00001   0.00001   2.63492
   R79        2.07804   0.00007   0.00005   0.00005   0.00010   2.07815
   R80        2.07744   0.00008   0.00003   0.00007   0.00010   2.07754
   R81        2.66138   0.00005  -0.00017   0.00054   0.00036   2.66174
   R82        2.65736   0.00037   0.00009   0.00007   0.00016   2.65752
   R83        2.64230   0.00015   0.00013  -0.00017  -0.00004   2.64226
   R84        2.79798  -0.00030  -0.00012  -0.00044  -0.00056   2.79742
   R85        2.64430   0.00006  -0.00027   0.00057   0.00031   2.64461
   R86        2.79845  -0.00018  -0.00025  -0.00003  -0.00028   2.79817
   R87        2.63238   0.00002  -0.00023   0.00036   0.00013   2.63252
   R88        2.07958   0.00009  -0.00004   0.00019   0.00015   2.07973
   R89        2.63126   0.00009   0.00018  -0.00017   0.00001   2.63127
   R90        2.07968   0.00003   0.00004   0.00005   0.00009   2.07977
   R91        2.11128   0.00023   0.00003   0.00021   0.00024   2.11152
   R92        2.11728   0.00002   0.00009   0.00002   0.00011   2.11739
   R93        2.11465   0.00005   0.00016  -0.00011   0.00005   2.11471
   R94        2.11191   0.00010   0.00001   0.00022   0.00023   2.11214
   R95        2.11426   0.00012   0.00011   0.00003   0.00014   2.11439
   R96        2.11524   0.00013   0.00014  -0.00003   0.00012   2.11536
   R97        2.07891   0.00001   0.00008  -0.00006   0.00002   2.07893
    A1        1.89334  -0.00068  -0.00195   0.00308   0.00113   1.89446
    A2        1.99413   0.00020   0.00000   0.00077   0.00077   1.99490
    A3        2.04987  -0.00070  -0.00061   0.00245   0.00146   2.05133
    A4        2.03282   0.00108   0.00240   0.00025   0.00225   2.03507
    A5        2.08285  -0.00015   0.00135  -0.00078   0.00031   2.08316
    A6        2.17650  -0.00159  -0.00123   0.00094  -0.00029   2.17621
    A7        2.03402   0.00067   0.00040  -0.00014   0.00025   2.03427
    A8        2.06322   0.00093   0.00096  -0.00046   0.00049   2.06371
    A9        2.13409  -0.00007  -0.00052   0.00077   0.00023   2.13431
   A10        2.03274  -0.00001   0.00074  -0.00080  -0.00009   2.03266
   A11        2.06794   0.00010   0.00021   0.00040   0.00058   2.06852
   A12        2.12390  -0.00005   0.00128  -0.00178  -0.00079   2.12311
   A13        2.03840   0.00006   0.00199  -0.00378  -0.00223   2.03618
   A14        2.08757  -0.00006   0.00233  -0.00392  -0.00205   2.08552
   A15        2.00366  -0.00181  -0.00044  -0.00006  -0.00051   2.00316
   A16        1.94155   0.00088   0.00040   0.00009   0.00049   1.94205
   A17        1.87677   0.00046   0.00000   0.00053   0.00052   1.87729
   A18        1.90869   0.00088   0.00156  -0.00046   0.00110   1.90980
   A19        1.85129   0.00004  -0.00137   0.00052  -0.00085   1.85044
   A20        1.87518  -0.00044  -0.00028  -0.00061  -0.00090   1.87428
   A21        1.99580  -0.00045  -0.00148   0.00090  -0.00057   1.99522
   A22        1.92692   0.00064   0.00197  -0.00148   0.00049   1.92741
   A23        1.86601   0.00011   0.00017   0.00014   0.00029   1.86630
   A24        1.90457  -0.00050  -0.00188   0.00121  -0.00067   1.90389
   A25        1.86647  -0.00001  -0.00008  -0.00017  -0.00025   1.86622
   A26        1.90092   0.00023   0.00145  -0.00065   0.00079   1.90171
   A27        1.99699  -0.00040   0.00048   0.00032   0.00080   1.99779
   A28        1.89252  -0.00015  -0.00084   0.00019  -0.00065   1.89187
   A29        1.86925   0.00025  -0.00001   0.00011   0.00010   1.86935
   A30        1.90862  -0.00011  -0.00182   0.00100  -0.00082   1.90780
   A31        1.91667   0.00043   0.00162  -0.00115   0.00047   1.91714
   A32        1.87578  -0.00001   0.00061  -0.00054   0.00007   1.87585
   A33        1.97348  -0.00080  -0.00235   0.00326   0.00091   1.97439
   A34        1.86569   0.00062  -0.00062   0.00191   0.00129   1.86698
   A35        1.86970  -0.00014   0.00177  -0.00403  -0.00226   1.86744
   A36        1.94163   0.00020   0.00004  -0.00062  -0.00059   1.94104
   A37        1.91645   0.00023   0.00109  -0.00064   0.00045   1.91690
   A38        1.89363  -0.00011   0.00018  -0.00005   0.00013   1.89376
   A39        1.90132   0.00018  -0.00103   0.00113   0.00010   1.90142
   A40        1.94530  -0.00025   0.00010  -0.00044  -0.00034   1.94496
   A41        1.89460   0.00010  -0.00109   0.00132   0.00022   1.89483
   A42        1.91552   0.00001   0.00079  -0.00053   0.00026   1.91579
   A43        1.89370  -0.00008   0.00053  -0.00051   0.00001   1.89371
   A44        1.91255   0.00004   0.00069  -0.00095  -0.00025   1.91230
   A45        1.95325   0.00008   0.00025  -0.00051  -0.00026   1.95300
   A46        1.95321  -0.00024   0.00042  -0.00014   0.00027   1.95348
   A47        1.88059  -0.00010   0.00009  -0.00102  -0.00093   1.87966
   A48        1.90343   0.00016  -0.00023   0.00055   0.00032   1.90375
   A49        1.87088   0.00003  -0.00067   0.00147   0.00081   1.87169
   A50        1.89987   0.00008   0.00009  -0.00029  -0.00020   1.89967
   A51        1.95613   0.00083  -0.00020   0.00005  -0.00014   1.95599
   A52        1.91782   0.00003   0.00071  -0.00004   0.00067   1.91848
   A53        1.88000  -0.00049  -0.00074   0.00042  -0.00031   1.87969
   A54        1.92152  -0.00038  -0.00066   0.00070   0.00003   1.92155
   A55        1.91321  -0.00019   0.00048  -0.00082  -0.00034   1.91287
   A56        1.87285   0.00016   0.00045  -0.00035   0.00010   1.87295
   A57        2.14294  -0.00117  -0.00115   0.00078  -0.00037   2.14257
   A58        2.12192  -0.00066  -0.00039  -0.00026  -0.00065   2.12128
   A59        2.01619   0.00183   0.00131  -0.00025   0.00106   2.01725
   A60        2.00571   0.00009  -0.00004  -0.00084  -0.00084   2.00487
   A61        1.86346   0.00027  -0.00020   0.00112   0.00090   1.86436
   A62        1.90883  -0.00013  -0.00065   0.00058  -0.00008   1.90875
   A63        1.90376  -0.00024   0.00042  -0.00059  -0.00017   1.90358
   A64        1.89308   0.00002   0.00073  -0.00072  -0.00001   1.89307
   A65        1.88571  -0.00002  -0.00028   0.00055   0.00027   1.88597
   A66        1.93384   0.00005  -0.00003  -0.00022  -0.00022   1.93361
   A67        1.90082  -0.00001   0.00012  -0.00026  -0.00015   1.90067
   A68        1.91776  -0.00006  -0.00016   0.00032   0.00016   1.91791
   A69        1.90545  -0.00012  -0.00030   0.00017  -0.00013   1.90532
   A70        1.92290   0.00007  -0.00017   0.00035   0.00017   1.92306
   A71        1.88215   0.00007   0.00056  -0.00038   0.00018   1.88234
   A72        1.97136  -0.00035   0.00006   0.00004   0.00010   1.97146
   A73        1.90306   0.00021   0.00006   0.00019   0.00024   1.90330
   A74        1.87477   0.00021  -0.00021   0.00010  -0.00011   1.87466
   A75        1.93269  -0.00002   0.00019  -0.00073  -0.00054   1.93215
   A76        1.90529   0.00010  -0.00015   0.00003  -0.00013   1.90517
   A77        1.87326  -0.00014   0.00005   0.00042   0.00047   1.87373
   A78        2.11298   0.00076  -0.00004   0.00051   0.00041   2.11339
   A79        2.08208  -0.00075  -0.00004  -0.00018  -0.00027   2.08181
   A80        2.08631  -0.00003   0.00029  -0.00058  -0.00018   2.08613
   A81        1.93429  -0.00005   0.00008  -0.00012  -0.00004   1.93425
   A82        1.91481  -0.00010   0.00013  -0.00023  -0.00010   1.91471
   A83        1.92941  -0.00006  -0.00039   0.00006  -0.00033   1.92909
   A84        1.89201   0.00009  -0.00001   0.00019   0.00017   1.89218
   A85        1.90099   0.00006  -0.00005   0.00019   0.00015   1.90113
   A86        1.89140   0.00008   0.00025  -0.00009   0.00016   1.89156
   A87        1.93101  -0.00004  -0.00006   0.00010   0.00003   1.93104
   A88        1.94153  -0.00007  -0.00006  -0.00032  -0.00038   1.94115
   A89        1.91620  -0.00004  -0.00010   0.00017   0.00007   1.91627
   A90        1.89262   0.00005   0.00015  -0.00012   0.00003   1.89265
   A91        1.89345   0.00004  -0.00002   0.00013   0.00011   1.89356
   A92        1.88780   0.00007   0.00010   0.00005   0.00015   1.88795
   A93        1.96386   0.00009  -0.00063   0.00196   0.00135   1.96521
   A94        1.90643  -0.00002  -0.00026   0.00057   0.00030   1.90673
   A95        1.89636  -0.00008   0.00120  -0.00255  -0.00135   1.89501
   A96        1.91097   0.00001   0.00014  -0.00025  -0.00013   1.91083
   A97        1.90344  -0.00003  -0.00024   0.00002  -0.00021   1.90324
   A98        1.88093   0.00004  -0.00020   0.00017  -0.00002   1.88091
   A99        2.09550  -0.00028   0.00008  -0.00015  -0.00008   2.09542
   A100       2.10468   0.00038   0.00016  -0.00021  -0.00006   2.10462
   A101       2.08299  -0.00010  -0.00023   0.00035   0.00012   2.08311
   A102       2.09950   0.00005   0.00013  -0.00025  -0.00012   2.09938
   A103       2.10276  -0.00007  -0.00004   0.00010   0.00006   2.10282
   A104       2.08080   0.00002  -0.00009   0.00016   0.00006   2.08086
   A105       2.13748   0.00016  -0.00044   0.00080   0.00036   2.13785
   A106       2.06292   0.00014  -0.00014   0.00048   0.00034   2.06326
   A107       2.08110  -0.00029   0.00054  -0.00127  -0.00073   2.08037
   A108       2.10024   0.00005   0.00016  -0.00027  -0.00011   2.10013
   A109       2.08974  -0.00002   0.00003  -0.00014  -0.00011   2.08963
   A110       2.09320  -0.00003  -0.00018   0.00040   0.00022   2.09342
   A111       2.09751  -0.00007   0.00020  -0.00033  -0.00013   2.09738
   A112       2.09902   0.00015   0.00008  -0.00019  -0.00012   2.09890
   A113       2.08663  -0.00008  -0.00026   0.00051   0.00025   2.08688
   A114       2.10068  -0.00002   0.00005  -0.00011  -0.00005   2.10063
   A115       2.08832   0.00002  -0.00003  -0.00002  -0.00005   2.08827
   A116       2.09417  -0.00001  -0.00003   0.00013   0.00010   2.09427
   A117       2.10017   0.00000   0.00004  -0.00005  -0.00001   2.10016
   A118       2.09107   0.00000  -0.00007  -0.00002  -0.00008   2.09098
   A119       2.09195   0.00000   0.00003   0.00006   0.00010   2.09204
   A120       1.93925  -0.00051  -0.00042  -0.00082  -0.00124   1.93801
   A121       1.87129   0.00014   0.00030   0.00036   0.00066   1.87194
   A122       1.95604   0.00016   0.00028  -0.00011   0.00018   1.95621
   A123       1.88266   0.00017   0.00058  -0.00051   0.00007   1.88273
   A124       1.89181   0.00008  -0.00035   0.00046   0.00011   1.89192
   A125       1.92157  -0.00006  -0.00037   0.00060   0.00023   1.92180
   A126       2.09603   0.00003  -0.00001   0.00006   0.00005   2.09608
   A127       2.09213   0.00001  -0.00005   0.00009   0.00004   2.09216
   A128       2.09503  -0.00004   0.00006  -0.00015  -0.00009   2.09494
   A129       2.09811   0.00009   0.00004  -0.00004   0.00000   2.09811
   A130       2.08886  -0.00006   0.00002  -0.00005  -0.00002   2.08883
   A131       2.09622  -0.00002  -0.00007   0.00009   0.00002   2.09624
   A132       2.09149   0.00001  -0.00016   0.00022   0.00006   2.09155
   A133       2.09566  -0.00003   0.00011  -0.00019  -0.00008   2.09558
   A134       2.09604   0.00002   0.00005  -0.00003   0.00002   2.09606
   A135       2.09660   0.00001   0.00003  -0.00001   0.00002   2.09662
   A136       2.09205   0.00000  -0.00003   0.00001  -0.00002   2.09203
   A137       2.09453  -0.00001   0.00000   0.00000   0.00000   2.09453
   A138       2.09708   0.00000   0.00003  -0.00003   0.00000   2.09708
   A139       2.09179   0.00000  -0.00003   0.00005   0.00001   2.09180
   A140       2.09432   0.00000   0.00000  -0.00001  -0.00001   2.09431
   A141       2.09104  -0.00001  -0.00006   0.00004  -0.00002   2.09102
   A142       2.09579   0.00000   0.00002   0.00000   0.00002   2.09582
   A143       2.09635   0.00001   0.00004  -0.00004   0.00000   2.09635
   A144       2.04702   0.00004  -0.00112   0.00020  -0.00092   2.04610
   A145       2.11388   0.00000   0.00061   0.00051   0.00112   2.11499
   A146       2.11827  -0.00004   0.00051  -0.00071  -0.00020   2.11806
   A147       2.06831   0.00004  -0.00012   0.00033   0.00021   2.06852
   A148       2.11275   0.00002  -0.00084   0.00090   0.00006   2.11280
   A149       2.10210  -0.00006   0.00097  -0.00123  -0.00026   2.10184
   A150       2.06866  -0.00005  -0.00048   0.00041  -0.00007   2.06859
   A151       2.11997   0.00002  -0.00028   0.00106   0.00078   2.12075
   A152       2.09453   0.00002   0.00076  -0.00148  -0.00072   2.09381
   A153       2.10622  -0.00004  -0.00028   0.00022  -0.00006   2.10616
   A154       2.08349   0.00011  -0.00017   0.00035   0.00018   2.08367
   A155       2.09348  -0.00007   0.00045  -0.00057  -0.00012   2.09336
   A156       2.10606   0.00001   0.00011   0.00002   0.00014   2.10620
   A157       2.08460  -0.00007   0.00017  -0.00050  -0.00032   2.08428
   A158       2.09250   0.00006  -0.00028   0.00047   0.00019   2.09269
   A159       1.93939  -0.00001   0.00015  -0.00044  -0.00029   1.93910
   A160       1.92133  -0.00004   0.00034  -0.00068  -0.00034   1.92099
   A161       1.92669  -0.00005  -0.00044   0.00076   0.00032   1.92700
   A162       1.88987   0.00001   0.00022  -0.00015   0.00007   1.88994
   A163       1.89393   0.00001   0.00039  -0.00049  -0.00009   1.89384
   A164       1.89147   0.00008  -0.00067   0.00102   0.00035   1.89182
   A165       1.93782  -0.00003   0.00004  -0.00031  -0.00026   1.93755
   A166       1.92674  -0.00005   0.00001   0.00001   0.00002   1.92677
   A167       1.92464  -0.00002  -0.00007   0.00028   0.00020   1.92484
   A168       1.89351   0.00005   0.00017  -0.00034  -0.00017   1.89334
   A169       1.88920   0.00003   0.00002  -0.00009  -0.00007   1.88914
   A170       1.89071   0.00002  -0.00017   0.00045   0.00029   1.89100
   A171       2.09867   0.00008   0.00027  -0.00031  -0.00004   2.09863
   A172       2.09293  -0.00014   0.00015  -0.00036  -0.00022   2.09272
   A173       2.09157   0.00006  -0.00042   0.00068   0.00025   2.09182
    D1       -0.35253   0.00025  -0.02835   0.05160   0.02325  -0.32928
    D2       -2.49502   0.00006  -0.02646   0.04897   0.02250  -2.47252
    D3        1.76115  -0.00005  -0.02723   0.05006   0.02283   1.78398
    D4        2.39536  -0.00007   0.00320   0.00101   0.00421   2.39957
    D5       -1.83455  -0.00005   0.00384   0.00016   0.00400  -1.83055
    D6        0.27592   0.00007   0.00375   0.00107   0.00482   0.28074
    D7       -2.11339   0.00012   0.00178  -0.00653  -0.00475  -2.11813
    D8        1.12322   0.00015   0.00186  -0.00653  -0.00466   1.11855
    D9        0.92741   0.00019   0.00479   0.00113   0.00589   0.93329
   D10       -1.22818   0.00069   0.00682   0.00003   0.00682  -1.22136
   D11        2.98968  -0.00001   0.00393   0.00154   0.00543   2.99511
   D12       -2.71860   0.00060   0.00929   0.00469   0.01401  -2.70460
   D13        1.40900   0.00110   0.01132   0.00359   0.01494   1.42394
   D14       -0.65633   0.00041   0.00843   0.00509   0.01355  -0.64278
   D15        2.47293   0.00052   0.00126   0.00184   0.00313   2.47606
   D16       -1.69683   0.00047   0.00162   0.00138   0.00303  -1.69381
   D17        0.33940   0.00053   0.00084   0.00293   0.00379   0.34319
   D18       -0.14936  -0.00027  -0.00360  -0.00216  -0.00581  -0.15517
   D19        1.96407  -0.00031  -0.00324  -0.00263  -0.00591   1.95815
   D20       -2.28289  -0.00025  -0.00402  -0.00108  -0.00515  -2.28804
   D21        0.19610   0.00028   0.00053  -0.00708  -0.00654   0.18956
   D22       -3.01061  -0.00007   0.00436  -0.01162  -0.00727  -3.01787
   D23        2.82331   0.00054   0.00454  -0.00247   0.00210   2.82541
   D24       -0.38339   0.00019   0.00837  -0.00701   0.00137  -0.38202
   D25       -0.97595   0.00072   0.00335   0.00438   0.00773  -0.96823
   D26        3.12817   0.00023   0.00123   0.00499   0.00622   3.13439
   D27        1.07936   0.00000   0.00136   0.00536   0.00672   1.08608
   D28        2.31599   0.00047   0.00236   0.00174   0.00410   2.32009
   D29        0.13693  -0.00002   0.00024   0.00234   0.00259   0.13952
   D30       -1.91187  -0.00025   0.00037   0.00272   0.00309  -1.90879
   D31        0.18036  -0.00020   0.00263  -0.00428  -0.00165   0.17871
   D32       -3.03044  -0.00018  -0.00097  -0.00004  -0.00102  -3.03146
   D33       -3.11389   0.00003   0.00358  -0.00157   0.00201  -3.11188
   D34       -0.04151   0.00006  -0.00002   0.00267   0.00265  -0.03886
   D35       -1.68508  -0.00001   0.00235  -0.01297  -0.01062  -1.69570
   D36        2.45549  -0.00010   0.00216  -0.01321  -0.01105   2.44444
   D37        0.36745   0.00000   0.00174  -0.01210  -0.01036   0.35709
   D38        1.12189   0.00006   0.00359  -0.01169  -0.00811   1.11378
   D39       -1.02073  -0.00003   0.00340  -0.01193  -0.00853  -1.02926
   D40       -3.10877   0.00008   0.00298  -0.01082  -0.00785  -3.11662
   D41       -0.13972   0.00012  -0.00078   0.00382   0.00303  -0.13668
   D42        3.06537   0.00010  -0.00021   0.00368   0.00348   3.06885
   D43       -2.94026   0.00007  -0.00213   0.00273   0.00059  -2.93966
   D44        0.26483   0.00004  -0.00156   0.00260   0.00104   0.26587
   D45       -2.93693  -0.00016  -0.00584   0.01067   0.00482  -2.93211
   D46        0.26861   0.00013  -0.00961   0.01510   0.00551   0.27412
   D47       -0.07104  -0.00038   0.01299  -0.02830  -0.01525  -0.08629
   D48        3.13450  -0.00009   0.00922  -0.02386  -0.01456   3.11994
   D49        0.36433  -0.00019   0.00561  -0.01255  -0.00689   0.35744
   D50        2.49040  -0.00014   0.00519  -0.01116  -0.00594   2.48446
   D51       -1.74523  -0.00015   0.00549  -0.01208  -0.00657  -1.75180
   D52       -2.49400   0.00002  -0.01372   0.02745   0.01376  -2.48024
   D53       -0.36792   0.00007  -0.01414   0.02884   0.01470  -0.35322
   D54        1.67963   0.00005  -0.01384   0.02792   0.01408   1.69370
   D55       -0.90718   0.00019   0.00993   0.00189   0.01182  -0.89536
   D56        1.22814  -0.00034   0.00728   0.00354   0.01082   1.23896
   D57       -3.03566  -0.00029   0.00756   0.00307   0.01063  -3.02503
   D58        1.28902   0.00071   0.01142   0.00158   0.01300   1.30202
   D59       -2.85885   0.00018   0.00877   0.00323   0.01200  -2.84684
   D60       -0.83946   0.00023   0.00905   0.00276   0.01181  -0.82764
   D61       -2.97686   0.00064   0.01113   0.00091   0.01204  -2.96482
   D62       -0.84155   0.00012   0.00848   0.00256   0.01104  -0.83050
   D63        1.17785   0.00017   0.00876   0.00209   0.01085   1.18870
   D64       -1.06464  -0.00070   0.00507  -0.01708  -0.01201  -1.07665
   D65        1.07774  -0.00059   0.00457  -0.01617  -0.01160   1.06614
   D66        3.11264  -0.00065   0.00507  -0.01637  -0.01130   3.10134
   D67        2.98711   0.00033   0.00414  -0.01671  -0.01257   2.97455
   D68       -1.15369   0.00045   0.00365  -0.01580  -0.01215  -1.16585
   D69        0.88120   0.00038   0.00415  -0.01600  -0.01185   0.86935
   D70        0.98513   0.00007   0.00510  -0.01676  -0.01165   0.97348
   D71        3.12751   0.00019   0.00461  -0.01585  -0.01124   3.11628
   D72       -1.12078   0.00013   0.00511  -0.01605  -0.01093  -1.13171
   D73        3.02905  -0.00009  -0.00072   0.00206   0.00134   3.03039
   D74        0.91287  -0.00006  -0.00108   0.00225   0.00116   0.91403
   D75       -1.19516  -0.00003  -0.00129   0.00283   0.00154  -1.19361
   D76       -1.08657   0.00003  -0.00067   0.00171   0.00104  -1.08553
   D77        3.08043   0.00006  -0.00104   0.00189   0.00086   3.08129
   D78        0.97241   0.00009  -0.00124   0.00248   0.00124   0.97365
   D79        0.96704   0.00003   0.00000   0.00148   0.00148   0.96852
   D80       -1.14914   0.00006  -0.00036   0.00167   0.00130  -1.14784
   D81        3.02602   0.00010  -0.00057   0.00225   0.00168   3.02770
   D82        1.68923  -0.00048  -0.00781  -0.00830  -0.01611   1.67313
   D83       -1.38406  -0.00048  -0.00421  -0.01252  -0.01674  -1.40080
   D84       -0.51833   0.00001  -0.00597  -0.00927  -0.01523  -0.53357
   D85        2.69155   0.00001  -0.00237  -0.01349  -0.01587   2.67569
   D86       -2.55010   0.00016  -0.00564  -0.00937  -0.01500  -2.56510
   D87        0.65978   0.00016  -0.00204  -0.01359  -0.01563   0.64415
   D88        1.74490  -0.00082   0.00017  -0.01837  -0.01819   1.72671
   D89       -2.43860  -0.00042  -0.00224  -0.01407  -0.01631  -2.45492
   D90       -0.34211  -0.00028  -0.00128  -0.01495  -0.01624  -0.35834
   D91       -0.38163  -0.00027   0.00230  -0.01959  -0.01729  -0.39892
   D92        1.71805   0.00012  -0.00012  -0.01529  -0.01541   1.70264
   D93       -2.46864   0.00027   0.00084  -0.01617  -0.01533  -2.48397
   D94       -2.43594  -0.00044   0.00169  -0.01886  -0.01717  -2.45311
   D95       -0.33626  -0.00005  -0.00073  -0.01456  -0.01529  -0.35155
   D96        1.76024   0.00009   0.00023  -0.01544  -0.01521   1.74503
   D97       -1.14624  -0.00020  -0.00595   0.00843   0.00248  -1.14376
   D98        1.02441  -0.00033  -0.00541   0.00829   0.00288   1.02728
   D99        3.07861  -0.00014  -0.00580   0.00905   0.00325   3.08187
   D100       2.97473   0.00025  -0.00264   0.00348   0.00085   2.97557
   D101      -1.13781   0.00011  -0.00210   0.00334   0.00125  -1.13657
   D102       0.91639   0.00031  -0.00248   0.00410   0.00162   0.91802
   D103       0.86478  -0.00009  -0.00412   0.00469   0.00057   0.86535
   D104       3.03543  -0.00023  -0.00358   0.00455   0.00097   3.03640
   D105      -1.19355  -0.00003  -0.00396   0.00531   0.00135  -1.19220
   D106      -1.06721   0.00012   0.00138  -0.00250  -0.00112  -1.06833
   D107       3.12723   0.00010   0.00126  -0.00251  -0.00125   3.12599
   D108       1.04230   0.00011   0.00112  -0.00229  -0.00118   1.04112
   D109       1.06704  -0.00007   0.00134  -0.00264  -0.00130   1.06574
   D110      -1.02169  -0.00008   0.00122  -0.00266  -0.00143  -1.02313
   D111      -3.10663  -0.00007   0.00108  -0.00244  -0.00136  -3.10799
   D112      -3.12677  -0.00006   0.00297  -0.00442  -0.00145  -3.12821
   D113       1.06768  -0.00007   0.00285  -0.00443  -0.00158   1.06610
   D114      -1.01725  -0.00006   0.00271  -0.00422  -0.00151  -1.01876
   D115       0.89839   0.00002   0.00306  -0.00322  -0.00016   0.89823
   D116      -1.20646   0.00004   0.00295  -0.00292   0.00003  -1.20642
   D117       2.98774   0.00002   0.00294  -0.00289   0.00005   2.98779
   D118      -1.20949  -0.00004   0.00376  -0.00400  -0.00025  -1.20973
   D119       2.96884  -0.00003   0.00365  -0.00370  -0.00005   2.96879
   D120       0.87986  -0.00005   0.00363  -0.00367  -0.00004   0.87982
   D121       2.99588   0.00002   0.00221  -0.00248  -0.00027   2.99561
   D122       0.89102   0.00004   0.00210  -0.00218  -0.00007   0.89095
   D123      -1.19796   0.00002   0.00209  -0.00215  -0.00006  -1.19802
   D124      -1.05424   0.00013   0.00380   0.00132   0.00512  -1.04912
   D125       1.10234   0.00002   0.00412   0.00054   0.00466   1.10700
   D126       3.12705   0.00008   0.00409   0.00119   0.00529   3.13234
   D127       3.05828   0.00007   0.00335   0.00167   0.00503   3.06330
   D128      -1.06834  -0.00004   0.00368   0.00090   0.00458  -1.06376
   D129       0.95638   0.00003   0.00365   0.00155   0.00520   0.96158
   D130       1.02245  -0.00009   0.00423  -0.00023   0.00400   1.02645
   D131      -3.10416  -0.00020   0.00455  -0.00101   0.00355  -3.10061
   D132      -1.07944  -0.00014   0.00453  -0.00036   0.00417  -1.07528
   D133      -1.53012   0.00013   0.00730  -0.01044  -0.00314  -1.53325
   D134       1.61794   0.00026   0.00615  -0.00775  -0.00160   1.61634
   D135       2.61279  -0.00022   0.00702  -0.01093  -0.00392   2.60888
   D136      -0.52233  -0.00009   0.00586  -0.00825  -0.00238  -0.52472
   D137       0.55645  -0.00008   0.00658  -0.01043  -0.00385   0.55259
   D138      -2.57868   0.00005   0.00543  -0.00774  -0.00232  -2.58100
   D139       0.74705   0.00024   0.00028   0.00365   0.00392   0.75097
   D140       2.84319   0.00012  -0.00003   0.00357   0.00353   2.84672
   D141      -1.38193   0.00015   0.00062   0.00314   0.00375  -1.37818
   D142      -1.34420   0.00000   0.00026   0.00320   0.00345  -1.34076
   D143       0.75194  -0.00012  -0.00005   0.00311   0.00306   0.75500
   D144       2.81000  -0.00008   0.00060   0.00268   0.00328   2.81328
   D145       2.88906   0.00015  -0.00004   0.00327   0.00323   2.89229
   D146      -1.29798   0.00003  -0.00035   0.00319   0.00284  -1.29514
   D147       0.76008   0.00006   0.00030   0.00276   0.00306   0.76314
   D148      -0.84710   0.00004  -0.00090   0.00280   0.00189  -0.84522
   D149      -2.97060   0.00000  -0.00025   0.00094   0.00069  -2.96991
   D150       1.25840  -0.00003   0.00005   0.00086   0.00091   1.25931
   D151      -2.94048   0.00009  -0.00084   0.00315   0.00229  -2.93819
   D152       1.21921   0.00006  -0.00019   0.00128   0.00110   1.22030
   D153      -0.83498   0.00003   0.00011   0.00121   0.00132  -0.83366
   D154       1.27887   0.00004  -0.00123   0.00330   0.00205   1.28092
   D155      -0.84462   0.00001  -0.00058   0.00143   0.00085  -0.84377
   D156      -2.89882  -0.00003  -0.00029   0.00135   0.00107  -2.89774
   D157      -1.20744  -0.00002   0.00155  -0.00635  -0.00479  -1.21224
   D158       1.95154  -0.00004   0.00195  -0.00684  -0.00489   1.94665
   D159       2.93562  -0.00004   0.00130  -0.00607  -0.00478   2.93084
   D160      -0.18858  -0.00005   0.00170  -0.00657  -0.00487  -0.19345
   D161       0.87693   0.00008   0.00122  -0.00617  -0.00495   0.87197
   D162      -2.24728   0.00007   0.00162  -0.00667  -0.00505  -2.25232
   D163      -3.13374   0.00008  -0.00094   0.00213   0.00119  -3.13255
   D164       0.00441   0.00011  -0.00062   0.00179   0.00117   0.00558
   D165       0.00147  -0.00004   0.00019  -0.00052  -0.00033   0.00114
   D166       3.13961  -0.00002   0.00052  -0.00086  -0.00034   3.13927
   D167       3.13606  -0.00013   0.00133  -0.00301  -0.00168   3.13437
   D168      -0.01324  -0.00001   0.00206  -0.00354  -0.00148  -0.01472
   D169       0.00088   0.00000   0.00019  -0.00034  -0.00016   0.00073
   D170       3.13477   0.00012   0.00091  -0.00087   0.00005   3.13482
   D171      -3.12393  -0.00002   0.00038  -0.00027   0.00011  -3.12382
   D172       0.02417  -0.00003   0.00051  -0.00030   0.00021   0.02438
   D173       0.00049   0.00000  -0.00002   0.00022   0.00020   0.00069
   D174      -3.13460  -0.00002   0.00011   0.00019   0.00030  -3.13429
   D175       3.12235   0.00002  -0.00051   0.00057   0.00005   3.12240
   D176      -0.01908   0.00000  -0.00022   0.00006  -0.00016  -0.01924
   D177      -0.00204   0.00001  -0.00012   0.00008  -0.00004  -0.00208
   D178       3.13972  -0.00002   0.00017  -0.00042  -0.00025   3.13947
   D179       2.74447   0.00003   0.00511  -0.00523  -0.00012   2.74435
   D180       0.69812   0.00004   0.00465  -0.00490  -0.00025   0.69786
   D181      -1.38211  -0.00004   0.00496  -0.00558  -0.00063  -1.38274
   D182      -0.45790   0.00005   0.00455  -0.00509  -0.00054  -0.45844
   D183      -2.50425   0.00006   0.00408  -0.00476  -0.00068  -2.50493
   D184       1.69871  -0.00002   0.00439  -0.00544  -0.00105   1.69766
   D185      -0.00212   0.00005  -0.00038   0.00090   0.00052  -0.00160
   D186       3.13825   0.00003   0.00027  -0.00021   0.00005   3.13831
   D187      -3.14026   0.00002  -0.00070   0.00124   0.00054  -3.13972
   D188       0.00012   0.00001  -0.00006   0.00013   0.00007   0.00019
   D189      -0.00259   0.00004  -0.00038   0.00083   0.00045  -0.00215
   D190       3.13509   0.00010  -0.00029   0.00104   0.00075   3.13584
   D191      -3.13654  -0.00008  -0.00111   0.00136   0.00025  -3.13629
   D192       0.00114  -0.00002  -0.00102   0.00157   0.00055   0.00169
   D193       0.00139   0.00000   0.00011  -0.00025  -0.00015   0.00124
   D194      -3.13869   0.00000   0.00008  -0.00022  -0.00014  -3.13883
   D195       3.13645   0.00002  -0.00003  -0.00022  -0.00025   3.13621
   D196      -0.00363   0.00002  -0.00005  -0.00019  -0.00024  -0.00387
   D197       0.00171  -0.00001   0.00017  -0.00035  -0.00018   0.00153
   D198      -3.14005  -0.00001   0.00027  -0.00052  -0.00025  -3.14030
   D199      -3.14005   0.00002  -0.00012   0.00016   0.00004  -3.14001
   D200       0.00137   0.00001  -0.00002  -0.00002  -0.00004   0.00133
   D201       0.00041  -0.00001   0.00018  -0.00041  -0.00023   0.00019
   D202      -3.14055  -0.00006   0.00066  -0.00134  -0.00068  -3.14123
   D203      -3.13996   0.00000  -0.00046   0.00070   0.00024  -3.13972
   D204       0.00226  -0.00004   0.00001  -0.00023  -0.00021   0.00205
   D205       0.00194  -0.00003   0.00020  -0.00045  -0.00025   0.00169
   D206      -3.14028   0.00002  -0.00028   0.00048   0.00020  -3.14008
   D207      -3.13572  -0.00009   0.00011  -0.00066  -0.00056  -3.13628
   D208       0.00524  -0.00004  -0.00037   0.00027  -0.00010   0.00514
   D209      -0.00173   0.00000  -0.00006  -0.00001  -0.00007  -0.00180
   D210       3.14013   0.00001  -0.00012   0.00018   0.00006   3.14020
   D211       3.13835   0.00000  -0.00003  -0.00005  -0.00008   3.13827
   D212      -0.00297   0.00001  -0.00010   0.00015   0.00005  -0.00292
   D213       0.00018   0.00000  -0.00008   0.00031   0.00023   0.00041
   D214       3.14151  -0.00001  -0.00002   0.00011   0.00010  -3.14158
   D215      -3.14124   0.00001  -0.00018   0.00049   0.00031  -3.14093
   D216       0.00009   0.00000  -0.00012   0.00029   0.00017   0.00026
   D217      -3.05927   0.00002   0.00050  -0.00177  -0.00126  -3.06053
   D218       0.07485   0.00002   0.00021  -0.00156  -0.00135   0.07350
   D219      -0.01294   0.00000   0.00043  -0.00170  -0.00127  -0.01421
   D220       3.12118   0.00000   0.00014  -0.00150  -0.00136   3.11982
   D221       3.06291  -0.00002  -0.00095   0.00233   0.00138   3.06429
   D222      -0.07102   0.00000  -0.00142   0.00353   0.00211  -0.06891
   D223       0.02022   0.00001  -0.00078   0.00228   0.00150   0.02172
   D224      -3.11370   0.00002  -0.00125   0.00348   0.00223  -3.11147
   D225      -0.00354   0.00000   0.00016   0.00006   0.00022  -0.00332
   D226       3.13964   0.00000   0.00031  -0.00029   0.00002   3.13966
   D227      -3.13771   0.00000   0.00045  -0.00015   0.00030  -3.13740
   D228       0.00547   0.00000   0.00061  -0.00051   0.00010   0.00557
   D229      -2.87269   0.00002  -0.00675   0.01632   0.00957  -2.86312
   D230       1.31695   0.00004  -0.00735   0.01724   0.00989   1.32683
   D231      -0.77049  -0.00001  -0.00646   0.01593   0.00947  -0.76102
   D232       0.26129   0.00001  -0.00706   0.01654   0.00948   0.27077
   D233      -1.83226   0.00004  -0.00765   0.01745   0.00980  -1.82246
   D234       2.36349  -0.00001  -0.00676   0.01615   0.00938   2.37287
   D235      -0.01121  -0.00001   0.00055  -0.00124  -0.00069  -0.01189
   D236       3.13735  -0.00001   0.00070  -0.00130  -0.00060   3.13675
   D237       3.12283  -0.00002   0.00100  -0.00241  -0.00140   3.12143
   D238      -0.01180  -0.00002   0.00115  -0.00247  -0.00131  -0.01311
   D239       2.82036   0.00000   0.00072  -0.00322  -0.00250   2.81786
   D240       0.71969  -0.00002   0.00047  -0.00260  -0.00213   0.71756
   D241      -1.36895   0.00001   0.00072  -0.00334  -0.00262  -1.37158
   D242      -0.31346   0.00001   0.00025  -0.00201  -0.00176  -0.31522
   D243      -2.41412   0.00000   0.00000  -0.00139  -0.00139  -2.41551
   D244       1.78042   0.00003   0.00025  -0.00214  -0.00188   1.77854
   D245       0.01238   0.00000  -0.00038   0.00095   0.00057   0.01295
   D246      -3.13416   0.00001  -0.00017   0.00058   0.00041  -3.13375
   D247      -3.13081   0.00000  -0.00054   0.00132   0.00078  -3.13003
   D248       0.00584   0.00000  -0.00033   0.00094   0.00061   0.00646
   D249      -0.00482   0.00000   0.00002  -0.00036  -0.00033  -0.00516
   D250      -3.14148   0.00000  -0.00019   0.00002  -0.00017   3.14153
   D251       3.12978   0.00000  -0.00012  -0.00030  -0.00042   3.12935
   D252      -0.00688   0.00000  -0.00034   0.00008  -0.00026  -0.00714
         Item               Value     Threshold  Converged?
 Maximum Force            0.001833     0.000450     NO 
 RMS     Force            0.000292     0.000300     YES
 Maximum Displacement     0.134739     0.001800     NO 
 RMS     Displacement     0.029601     0.001200     NO 
 Predicted change in Energy=-9.573229D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.091045   -0.085738   -1.429974
      2          8           0       -3.008201    0.024744   -2.507908
      3          8           0       -3.457507   -2.034383    1.485669
      4          8           0        2.014490    1.897221    2.231422
      5          8           0        3.493376   -1.211596    1.342856
      6          7           0       -3.097625   -2.707097   -0.720008
      7          7           0       -3.190512    0.394047   -0.244292
      8          7           0        2.134768    0.900883    0.160909
      9          7           0       -1.744048   -3.508901    1.127535
     10          6           0       -2.699806    1.754421   -0.226586
     11          6           0       -4.074900   -1.729761   -1.163300
     12          6           0       -1.360209    1.966247   -0.953908
     13          6           0       -0.254781    1.006111   -0.532632
     14          6           0       -4.833232   -2.126614   -2.448911
     15          6           0        1.122346    1.734152   -0.445210
     16          6           0       -2.591004    2.291913    1.216795
     17          6           0       -3.398934   -0.344458   -1.378312
     18          6           0       -2.100627   -3.141936   -1.680450
     19          6           0       -0.705254   -3.359077   -1.103062
     20          6           0        1.532600    2.205758   -1.852654
     21          6           0       -2.776913   -2.702900    0.661328
     22          6           0       -5.924073   -1.105468   -2.712412
     23          6           0       -5.442519   -3.506870   -2.328038
     24          6           0       -0.780374   -4.089460    0.235643
     25          6           0       -3.911781    2.327100    1.901369
     26          6           0        2.785472    3.005572   -1.853796
     27          6           0        2.462702    0.995108    1.491916
     28          6           0       -4.734570    3.453755    1.780672
     29          6           0       -4.340859    1.243849    2.677865
     30          6           0        2.805018    4.288463   -1.292039
     31          6           0        3.952817    2.495583   -2.433472
     32          6           0        3.475525    0.014443    2.081283
     33          6           0       -5.967668    3.497092    2.428055
     34          6           0       -5.576611    1.289576    3.322685
     35          6           0       -6.390852    2.414972    3.200112
     36          6           0        3.973038    5.047820   -1.311174
     37          6           0        5.120150    3.257687   -2.453075
     38          6           0        5.132596    4.534391   -1.892665
     39          6           0        4.768748   -1.719023    1.105004
     40          6           0        5.147242   -1.907450   -0.238574
     41          6           0        5.595980   -2.134866    2.163514
     42          6           0        6.381806   -2.506662   -0.506569
     43          6           0        6.828509   -2.722678    1.857150
     44          6           0        4.259116   -1.491905   -1.347599
     45          6           0        5.184828   -1.972663    3.576736
     46          6           0        7.219424   -2.904225    0.533131
     47          1           0       -3.458467    2.399508   -0.772709
     48          1           0       -4.848869   -1.638361   -0.337946
     49          1           0       -1.537356    1.867052   -2.060059
     50          1           0       -1.041691    3.023248   -0.757294
     51          1           0       -0.493401    0.568013    0.480113
     52          1           0       -4.109981   -2.107827   -3.312141
     53          1           0        0.980956    2.641035    0.217534
     54          1           0       -3.509376    0.021888    0.628658
     55          1           0       -1.868394    1.665577    1.804719
     56          1           0       -2.166808    3.329855    1.163366
     57          1           0       -2.472706   -4.112589   -2.120773
     58          1           0       -2.028584   -2.383659   -2.514931
     59          1           0       -0.106433   -3.971936   -1.822879
     60          1           0       -0.185846   -2.370968   -0.976894
     61          1           0        1.631918    1.311337   -2.524511
     62          1           0        0.693070    2.835074   -2.254311
     63          1           0       -6.657392   -1.081939   -1.870870
     64          1           0       -6.470556   -1.371532   -3.649144
     65          1           0       -5.484413   -0.086269   -2.838523
     66          1           0       -6.045065   -3.590524   -1.391662
     67          1           0       -4.653966   -4.296564   -2.312177
     68          1           0       -6.113617   -3.701965   -3.199991
     69          1           0        0.233657   -4.079224    0.726733
     70          1           0       -1.063580   -5.167345    0.052080
     71          1           0        2.379068    0.070337   -0.331313
     72          1           0       -1.543424   -3.458677    2.097666
     73          1           0       -0.894614   -0.169444   -1.962762
     74          1           0       -4.402559    4.309217    1.173923
     75          1           0       -3.707701    0.346563    2.777944
     76          1           0        1.893277    4.693495   -0.828401
     77          1           0        3.948735    1.488103   -2.875748
     78          1           0        3.148724   -0.231468    3.127577
     79          1           0        4.480068    0.510844    2.098000
     80          1           0       -6.606476    4.386943    2.330633
     81          1           0       -5.908153    0.431709    3.926320
     82          1           0       -7.364112    2.449537    3.710473
     83          1           0        3.979987    6.053204   -0.865400
     84          1           0        6.032592    2.849678   -2.911697
     85          1           0        6.053454    5.134741   -1.908516
     86          1           0        6.691018   -2.662461   -1.551231
     87          1           0        7.489617   -3.049367    2.674132
     88          1           0        4.571150   -1.963673   -2.311228
     89          1           0        4.295605   -0.379066   -1.472963
     90          1           0        3.201690   -1.788569   -1.132841
     91          1           0        5.782446   -2.638202    4.246927
     92          1           0        4.101913   -2.226005    3.699314
     93          1           0        5.338559   -0.914071    3.906588
     94          1           0        8.191339   -3.367750    0.307750
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0843618      0.0409875      0.0356859
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3236.3280842208 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246450827246     A.U. after   13 cycles
             Convg  =    0.5499D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000040409    0.000575349   -0.000036745
      2        8          -0.000291445    0.000322119   -0.000124970
      3        8          -0.000365308    0.000259202   -0.000335288
      4        8           0.000111591    0.000058453    0.000200387
      5        8           0.000127680    0.000202893   -0.000108865
      6        7           0.000668490   -0.001503808   -0.001448912
      7        7           0.000128901    0.000087234   -0.000835025
      8        7          -0.000089044    0.000175046   -0.000020209
      9        7           0.000487884    0.000754857    0.000539149
     10        6          -0.000048497    0.000142338    0.000151783
     11        6          -0.000160041    0.001042014    0.000864068
     12        6           0.000531602    0.000355279    0.000000566
     13        6          -0.000352455   -0.000152823    0.000130450
     14        6          -0.000034082   -0.000321714   -0.000521634
     15        6          -0.000205106   -0.000100810    0.000015413
     16        6          -0.000328456    0.000169789    0.000153956
     17        6          -0.000003533   -0.000619973    0.000426221
     18        6          -0.000166412    0.000993560    0.000075038
     19        6           0.000387884    0.000243689   -0.000147503
     20        6           0.000161045    0.000114567   -0.000094055
     21        6          -0.000994320   -0.000555244    0.001212874
     22        6           0.000094398   -0.000016804    0.000069189
     23        6           0.000075132    0.000112808    0.000031528
     24        6          -0.000173505   -0.000333196    0.000139514
     25        6           0.000187962   -0.000258079    0.000107632
     26        6           0.000031324    0.000100191   -0.000025346
     27        6          -0.000207116   -0.000247655   -0.000112823
     28        6           0.000196720   -0.000029635   -0.000179617
     29        6          -0.000239351    0.000306076    0.000184227
     30        6           0.000096408   -0.000036401   -0.000055605
     31        6          -0.000070256   -0.000005785   -0.000014337
     32        6           0.000004660   -0.000327480    0.000055747
     33        6           0.000064350    0.000150444   -0.000061911
     34        6           0.000010029   -0.000182451    0.000114917
     35        6          -0.000029128   -0.000122820    0.000020961
     36        6           0.000012460    0.000041012    0.000047867
     37        6          -0.000028335   -0.000016330   -0.000058559
     38        6          -0.000008487    0.000037075    0.000063981
     39        6          -0.000231341   -0.000207697    0.000209000
     40        6          -0.000100416    0.000103414   -0.000162878
     41        6           0.000225238    0.000101732   -0.000171661
     42        6           0.000091209   -0.000050408    0.000069212
     43        6          -0.000028600   -0.000019976    0.000087293
     44        6          -0.000075121    0.000016510   -0.000221833
     45        6           0.000029232   -0.000014301    0.000086669
     46        6          -0.000043541    0.000079724   -0.000051011
     47        1           0.000103580   -0.000168958    0.000151150
     48        1          -0.000049851    0.000041828   -0.000044121
     49        1          -0.000006125    0.000046306    0.000153654
     50        1          -0.000029799   -0.000078594   -0.000218459
     51        1           0.000153161   -0.000017336    0.000023139
     52        1          -0.000009027    0.000097046    0.000083080
     53        1           0.000085146   -0.000077616   -0.000164593
     54        1           0.000152922   -0.000248627    0.000215673
     55        1           0.000119049    0.000095986   -0.000119982
     56        1          -0.000126974   -0.000130701    0.000120551
     57        1           0.000032497   -0.000202460    0.000139794
     58        1          -0.000139994   -0.000193789    0.000021829
     59        1           0.000025947    0.000067754    0.000114802
     60        1          -0.000139293   -0.000095195   -0.000138646
     61        1          -0.000041013   -0.000070927    0.000064099
     62        1          -0.000065818   -0.000000472    0.000234748
     63        1           0.000013155    0.000064285   -0.000049710
     64        1           0.000001154   -0.000026124    0.000108079
     65        1           0.000004645   -0.000042293   -0.000047756
     66        1          -0.000024724    0.000044010   -0.000047164
     67        1           0.000051225   -0.000025928   -0.000033941
     68        1          -0.000026360   -0.000016290   -0.000020140
     69        1           0.000061662   -0.000097809   -0.000106174
     70        1           0.000015884    0.000054745   -0.000002930
     71        1           0.000038350   -0.000074640    0.000097047
     72        1           0.000112245   -0.000214835   -0.000377165
     73        1           0.000040656   -0.000464678   -0.000259691
     74        1          -0.000052571   -0.000019081    0.000022275
     75        1           0.000230160    0.000098796   -0.000161711
     76        1          -0.000075502   -0.000008239   -0.000011383
     77        1           0.000048008    0.000011906    0.000044921
     78        1           0.000126172    0.000148070   -0.000123280
     79        1          -0.000046952    0.000155214    0.000047787
     80        1          -0.000057792    0.000020035    0.000032778
     81        1           0.000054823    0.000016693   -0.000100985
     82        1          -0.000034191    0.000038823   -0.000043543
     83        1          -0.000009089   -0.000009482   -0.000037853
     84        1           0.000026004   -0.000018559    0.000016205
     85        1           0.000020126   -0.000028692   -0.000028866
     86        1           0.000060999   -0.000037887    0.000003277
     87        1          -0.000022355    0.000011133   -0.000029908
     88        1           0.000017050   -0.000066184    0.000159221
     89        1          -0.000006752    0.000011129    0.000001879
     90        1           0.000021994    0.000030641    0.000025893
     91        1           0.000046883   -0.000009425   -0.000009670
     92        1          -0.000071892    0.000031808    0.000025415
     93        1          -0.000078814   -0.000031836   -0.000045330
     94        1          -0.000039323   -0.000031530    0.000046852
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001503808 RMS     0.000253995

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001116183 RMS     0.000133815
 Search for a local minimum.
 Step number  24 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   21   22   23   24
 DE= -8.16D-05 DEPred=-9.57D-05 R= 8.52D-01
 SS=  1.41D+00  RLast= 1.10D-01 DXNew= 7.4242D-01 3.3116D-01
 Trust test= 8.52D-01 RLast= 1.10D-01 DXMaxT set to 4.41D-01
     Eigenvalues ---    0.00054   0.00183   0.00231   0.00235   0.00241
     Eigenvalues ---    0.00256   0.00322   0.00352   0.00398   0.00404
     Eigenvalues ---    0.00438   0.00473   0.00488   0.00542   0.00565
     Eigenvalues ---    0.00656   0.00711   0.00906   0.01100   0.01236
     Eigenvalues ---    0.01339   0.01371   0.01389   0.01419   0.01443
     Eigenvalues ---    0.01486   0.01510   0.01528   0.01614   0.01689
     Eigenvalues ---    0.02002   0.02018   0.02087   0.02116   0.02124
     Eigenvalues ---    0.02142   0.02149   0.02151   0.02154   0.02161
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02181   0.02185   0.02186
     Eigenvalues ---    0.02187   0.02188   0.02282   0.02322   0.02381
     Eigenvalues ---    0.02604   0.02826   0.03073   0.03184   0.03567
     Eigenvalues ---    0.03700   0.03797   0.03940   0.04017   0.04172
     Eigenvalues ---    0.04264   0.04373   0.04389   0.04681   0.04689
     Eigenvalues ---    0.04807   0.04951   0.05022   0.05062   0.05169
     Eigenvalues ---    0.05203   0.05402   0.05440   0.05443   0.05490
     Eigenvalues ---    0.05593   0.05615   0.05621   0.05672   0.05925
     Eigenvalues ---    0.05975   0.06362   0.06755   0.06783   0.07115
     Eigenvalues ---    0.07119   0.07227   0.07308   0.07378   0.07530
     Eigenvalues ---    0.07805   0.08029   0.08299   0.08626   0.09187
     Eigenvalues ---    0.09344   0.09421   0.09791   0.11022   0.11584
     Eigenvalues ---    0.12174   0.12507   0.12870   0.12974   0.14068
     Eigenvalues ---    0.15286   0.15474   0.15888   0.15950   0.15973
     Eigenvalues ---    0.15986   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16006   0.16011   0.16018
     Eigenvalues ---    0.16042   0.16119   0.16187   0.16326   0.16496
     Eigenvalues ---    0.16823   0.17322   0.17747   0.18929   0.19076
     Eigenvalues ---    0.19912   0.20270   0.20715   0.21124   0.21875
     Eigenvalues ---    0.21983   0.22000   0.22000   0.22003   0.22076
     Eigenvalues ---    0.22419   0.22477   0.22519   0.23078   0.23265
     Eigenvalues ---    0.23410   0.23486   0.23635   0.23721   0.24627
     Eigenvalues ---    0.24748   0.24807   0.24944   0.24986   0.25014
     Eigenvalues ---    0.25144   0.25506   0.25661   0.25770   0.26789
     Eigenvalues ---    0.26954   0.27454   0.27586   0.27873   0.28249
     Eigenvalues ---    0.28389   0.28626   0.29059   0.29719   0.29908
     Eigenvalues ---    0.30260   0.30363   0.31085   0.31855   0.32409
     Eigenvalues ---    0.32655   0.33390   0.33706   0.34445   0.34460
     Eigenvalues ---    0.34521   0.34563   0.34622   0.34656   0.34683
     Eigenvalues ---    0.34700   0.34706   0.34721   0.34732   0.34746
     Eigenvalues ---    0.34747   0.34750   0.34753   0.34761   0.34768
     Eigenvalues ---    0.34781   0.34791   0.34802   0.34803   0.34817
     Eigenvalues ---    0.34833   0.34837   0.34847   0.34871   0.34903
     Eigenvalues ---    0.34956   0.35006   0.35446   0.35813   0.35889
     Eigenvalues ---    0.35914   0.35924   0.35947   0.35967   0.35984
     Eigenvalues ---    0.35992   0.35999   0.36003   0.36024   0.36033
     Eigenvalues ---    0.36061   0.36072   0.36690   0.37371   0.39256
     Eigenvalues ---    0.40525   0.41000   0.42233   0.42280   0.42353
     Eigenvalues ---    0.42482   0.42646   0.43418   0.44569   0.45039
     Eigenvalues ---    0.45715   0.46075   0.46097   0.46133   0.46196
     Eigenvalues ---    0.46291   0.46341   0.46521   0.46680   0.46744
     Eigenvalues ---    0.46773   0.46882   0.46944   0.47292   0.49131
     Eigenvalues ---    0.50526   0.52781   0.53977   0.56235   0.58303
     Eigenvalues ---    0.59474   0.68404   0.90280   0.90715   0.93405
     Eigenvalues ---    0.982161000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    24   23   22   21   20
 RFO step:  Lambda=-2.12370416D-05.
 DIIS coeffs:      1.00171      0.04025      0.13200     -0.14927     -0.02469
 Iteration  1 RMS(Cart)=  0.05602163 RMS(Int)=  0.00066365
 Iteration  2 RMS(Cart)=  0.00136106 RMS(Int)=  0.00008938
 Iteration  3 RMS(Cart)=  0.00000105 RMS(Int)=  0.00008938
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00008938
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68857  -0.00025  -0.00005  -0.00056  -0.00061   2.68797
    R2        1.82884  -0.00034   0.00016  -0.00026  -0.00010   1.82874
    R3        2.36402  -0.00026   0.00023   0.00004   0.00027   2.36429
    R4        2.38260   0.00055  -0.00011   0.00023   0.00012   2.38272
    R5        2.36145  -0.00022   0.00001  -0.00034  -0.00033   2.36112
    R6        2.70486  -0.00009  -0.00005   0.00023   0.00017   2.70503
    R7        2.63251  -0.00012  -0.00011   0.00005  -0.00006   2.63245
    R8        2.74288  -0.00024   0.00005   0.00018   0.00023   2.74311
    R9        2.74208  -0.00032   0.00054  -0.00107  -0.00064   2.74145
   R10        2.67979  -0.00112   0.00108  -0.00047   0.00061   2.68040
   R11        2.73307  -0.00047   0.00013  -0.00096  -0.00082   2.73225
   R12        2.58750   0.00040  -0.00049   0.00022  -0.00027   2.58722
   R13        1.89182  -0.00027   0.00022   0.00054   0.00076   1.89258
   R14        2.72980  -0.00015   0.00015  -0.00022  -0.00007   2.72973
   R15        2.59657  -0.00005   0.00015  -0.00059  -0.00044   2.59612
   R16        1.88194   0.00010   0.00001  -0.00010  -0.00008   1.88185
   R17        2.62787   0.00057   0.00021   0.00202   0.00235   2.63022
   R18        2.71305   0.00003   0.00032   0.00156   0.00199   2.71504
   R19        1.87448   0.00029   0.00012   0.00117   0.00130   1.87578
   R20        2.90821  -0.00012  -0.00011   0.00013   0.00001   2.90822
   R21        2.91783  -0.00005   0.00049  -0.00038   0.00011   2.91794
   R22        2.14628  -0.00006   0.00006  -0.00037  -0.00031   2.14597
   R23        2.91861  -0.00045   0.00033  -0.00195  -0.00161   2.91699
   R24        2.94108   0.00007  -0.00018   0.00121   0.00103   2.94210
   R25        2.14514   0.00007  -0.00009   0.00033   0.00024   2.14539
   R26        2.87916  -0.00028  -0.00003  -0.00034  -0.00037   2.87878
   R27        2.12524   0.00012  -0.00013  -0.00010  -0.00022   2.12502
   R28        2.11899   0.00022  -0.00006   0.00027   0.00022   2.11921
   R29        2.94832  -0.00003   0.00008   0.00036   0.00044   2.94876
   R30        2.13340   0.00003   0.00001   0.00031   0.00032   2.13372
   R31        2.86722  -0.00012   0.00013  -0.00026  -0.00012   2.86710
   R32        2.86027   0.00008  -0.00006   0.00006   0.00001   2.86027
   R33        2.12845  -0.00004   0.00003  -0.00027  -0.00025   2.12820
   R34        2.91019  -0.00004   0.00002   0.00052   0.00054   2.91073
   R35        2.13936   0.00012  -0.00011  -0.00002  -0.00013   2.13923
   R36        2.81203  -0.00014   0.00023  -0.00056  -0.00033   2.81170
   R37        2.12131   0.00015  -0.00009  -0.00009  -0.00018   2.12113
   R38        2.12131   0.00007  -0.00010  -0.00033  -0.00043   2.12088
   R39        2.88305   0.00019  -0.00011   0.00029   0.00009   2.88314
   R40        2.13338   0.00003  -0.00007  -0.00002  -0.00009   2.13329
   R41        2.13508   0.00024  -0.00022  -0.00023  -0.00044   2.13464
   R42        2.88530  -0.00025   0.00007  -0.00045  -0.00039   2.88491
   R43        2.11474   0.00007  -0.00004   0.00005   0.00000   2.11474
   R44        2.12295   0.00019  -0.00011   0.00014   0.00003   2.12298
   R45        2.80889  -0.00002   0.00004   0.00009   0.00013   2.80902
   R46        2.12226   0.00004  -0.00005   0.00002  -0.00003   2.12223
   R47        2.12304   0.00008  -0.00007  -0.00007  -0.00014   2.12291
   R48        2.10982   0.00008  -0.00005   0.00000  -0.00005   2.10977
   R49        2.11016   0.00009  -0.00006   0.00006  -0.00001   2.11015
   R50        2.11106   0.00006  -0.00004  -0.00009  -0.00012   2.11094
   R51        2.11012   0.00006  -0.00004   0.00005   0.00002   2.11014
   R52        2.10913   0.00004   0.00000   0.00002   0.00003   2.10915
   R53        2.11171   0.00000   0.00000  -0.00007  -0.00007   2.11164
   R54        2.12922   0.00014  -0.00013   0.00003  -0.00010   2.12913
   R55        2.13442   0.00004  -0.00005  -0.00018  -0.00023   2.13419
   R56        2.64622  -0.00002   0.00000  -0.00015  -0.00015   2.64607
   R57        2.64595   0.00028  -0.00004   0.00030   0.00026   2.64620
   R58        2.64681   0.00005  -0.00001   0.00009   0.00009   2.64689
   R59        2.64481   0.00001   0.00000  -0.00004  -0.00004   2.64477
   R60        2.88755   0.00002   0.00011   0.00015   0.00026   2.88781
   R61        2.63311   0.00008  -0.00003   0.00002  -0.00001   2.63310
   R62        2.07886   0.00004  -0.00003  -0.00007  -0.00011   2.07876
   R63        2.63545  -0.00014   0.00006  -0.00018  -0.00012   2.63534
   R64        2.08387   0.00018  -0.00001   0.00028   0.00027   2.08414
   R65        2.63294  -0.00003   0.00002  -0.00004  -0.00002   2.63292
   R66        2.07894   0.00005  -0.00004  -0.00002  -0.00006   2.07888
   R67        2.63470   0.00002  -0.00001   0.00000  -0.00002   2.63468
   R68        2.07925   0.00006  -0.00004  -0.00003  -0.00007   2.07918
   R69        2.12290   0.00022  -0.00019   0.00000  -0.00019   2.12270
   R70        2.11768  -0.00017   0.00009  -0.00023  -0.00014   2.11754
   R71        2.63625  -0.00014   0.00007  -0.00015  -0.00009   2.63616
   R72        2.07818   0.00004  -0.00003  -0.00002  -0.00004   2.07814
   R73        2.63516  -0.00001   0.00000  -0.00006  -0.00007   2.63509
   R74        2.07890   0.00003  -0.00003  -0.00007  -0.00010   2.07880
   R75        2.07775   0.00006  -0.00003   0.00003   0.00000   2.07775
   R76        2.63636   0.00000   0.00000  -0.00002  -0.00002   2.63635
   R77        2.07832   0.00004  -0.00003  -0.00003  -0.00005   2.07827
   R78        2.63492  -0.00004   0.00003  -0.00004  -0.00001   2.63491
   R79        2.07815   0.00004  -0.00002  -0.00002  -0.00005   2.07810
   R80        2.07754   0.00004  -0.00003   0.00000  -0.00003   2.07751
   R81        2.66174  -0.00015   0.00011   0.00052   0.00063   2.66238
   R82        2.65752   0.00009  -0.00023  -0.00005  -0.00029   2.65724
   R83        2.64226   0.00012  -0.00013  -0.00018  -0.00031   2.64194
   R84        2.79742   0.00002   0.00008   0.00038   0.00046   2.79788
   R85        2.64461  -0.00004   0.00009   0.00048   0.00058   2.64519
   R86        2.79817  -0.00006   0.00005   0.00036   0.00042   2.79858
   R87        2.63252  -0.00003   0.00006   0.00024   0.00030   2.63282
   R88        2.07973   0.00003  -0.00002   0.00006   0.00004   2.07977
   R89        2.63127   0.00001  -0.00008  -0.00048  -0.00056   2.63071
   R90        2.07977   0.00000   0.00000  -0.00007  -0.00007   2.07970
   R91        2.11152   0.00017  -0.00009   0.00021   0.00012   2.11164
   R92        2.11739   0.00000   0.00002  -0.00009  -0.00008   2.11731
   R93        2.11471   0.00002  -0.00004  -0.00019  -0.00023   2.11447
   R94        2.11214   0.00004   0.00001   0.00012   0.00012   2.11226
   R95        2.11439   0.00007  -0.00006  -0.00004  -0.00010   2.11429
   R96        2.11536   0.00008  -0.00008  -0.00010  -0.00018   2.11518
   R97        2.07893   0.00000  -0.00001  -0.00015  -0.00016   2.07877
    A1        1.89446  -0.00023   0.00119   0.00123   0.00242   1.89689
    A2        1.99490  -0.00008   0.00012   0.00033   0.00045   1.99535
    A3        2.05133   0.00050  -0.00125   0.00363   0.00224   2.05356
    A4        2.03507  -0.00070  -0.00103   0.00237   0.00122   2.03629
    A5        2.08316   0.00032  -0.00160   0.00060  -0.00112   2.08204
    A6        2.17621  -0.00044   0.00150   0.00047   0.00197   2.17818
    A7        2.03427   0.00035  -0.00078  -0.00023  -0.00101   2.03326
    A8        2.06371   0.00008  -0.00053  -0.00008  -0.00061   2.06310
    A9        2.13431   0.00002  -0.00001   0.00144   0.00142   2.13574
   A10        2.03266  -0.00002  -0.00036  -0.00072  -0.00109   2.03157
   A11        2.06852   0.00002  -0.00028   0.00043   0.00015   2.06866
   A12        2.12311  -0.00018  -0.00072  -0.00222  -0.00366   2.11945
   A13        2.03618   0.00011  -0.00104  -0.00552  -0.00785   2.02833
   A14        2.08552   0.00003  -0.00079  -0.00542  -0.00750   2.07802
   A15        2.00316  -0.00010   0.00083   0.00028   0.00111   2.00427
   A16        1.94205   0.00033  -0.00051  -0.00120  -0.00170   1.94034
   A17        1.87729  -0.00013  -0.00027   0.00017  -0.00010   1.87719
   A18        1.90980  -0.00025   0.00013   0.00002   0.00015   1.90995
   A19        1.85044   0.00010   0.00008   0.00103   0.00111   1.85155
   A20        1.87428   0.00005  -0.00031  -0.00022  -0.00053   1.87375
   A21        1.99522   0.00025  -0.00033  -0.00101  -0.00133   1.99389
   A22        1.92741  -0.00045   0.00129  -0.00055   0.00074   1.92815
   A23        1.86630   0.00000  -0.00048   0.00136   0.00087   1.86718
   A24        1.90389   0.00026  -0.00083   0.00091   0.00008   1.90397
   A25        1.86622  -0.00008   0.00000  -0.00061  -0.00061   1.86561
   A26        1.90171   0.00002   0.00036  -0.00008   0.00028   1.90199
   A27        1.99779   0.00012  -0.00010  -0.00001  -0.00012   1.99767
   A28        1.89187  -0.00011   0.00028  -0.00011   0.00016   1.89204
   A29        1.86935   0.00000  -0.00007   0.00038   0.00030   1.86965
   A30        1.90780   0.00005   0.00050   0.00118   0.00168   1.90948
   A31        1.91714  -0.00013  -0.00032  -0.00144  -0.00175   1.91539
   A32        1.87585   0.00007  -0.00031   0.00000  -0.00031   1.87555
   A33        1.97439   0.00012   0.00123   0.00277   0.00399   1.97838
   A34        1.86698  -0.00001   0.00073   0.00218   0.00289   1.86987
   A35        1.86744  -0.00008  -0.00120  -0.00482  -0.00601   1.86143
   A36        1.94104  -0.00013  -0.00035  -0.00017  -0.00054   1.94050
   A37        1.91690   0.00001  -0.00015  -0.00050  -0.00065   1.91625
   A38        1.89376   0.00008  -0.00031   0.00037   0.00006   1.89383
   A39        1.90142   0.00014  -0.00038   0.00105   0.00068   1.90210
   A40        1.94496  -0.00020   0.00043  -0.00157  -0.00115   1.94381
   A41        1.89483   0.00006  -0.00029   0.00060   0.00031   1.89514
   A42        1.91579   0.00003   0.00026   0.00006   0.00032   1.91611
   A43        1.89371  -0.00006  -0.00007   0.00026   0.00019   1.89390
   A44        1.91230   0.00003   0.00003  -0.00035  -0.00032   1.91198
   A45        1.95300   0.00006  -0.00020  -0.00117  -0.00137   1.95162
   A46        1.95348  -0.00015   0.00033  -0.00063  -0.00030   1.95319
   A47        1.87966  -0.00003   0.00038  -0.00023   0.00015   1.87981
   A48        1.90375   0.00003  -0.00026   0.00045   0.00019   1.90394
   A49        1.87169   0.00003  -0.00003   0.00179   0.00176   1.87345
   A50        1.89967   0.00007  -0.00023  -0.00009  -0.00032   1.89935
   A51        1.95599   0.00056  -0.00066  -0.00075  -0.00140   1.95459
   A52        1.91848   0.00002  -0.00001  -0.00017  -0.00018   1.91830
   A53        1.87969  -0.00038   0.00067   0.00065   0.00133   1.88102
   A54        1.92155  -0.00033   0.00012  -0.00067  -0.00056   1.92099
   A55        1.91287  -0.00001   0.00007   0.00088   0.00096   1.91382
   A56        1.87295   0.00012  -0.00017   0.00013  -0.00003   1.87292
   A57        2.14257   0.00013   0.00029   0.00025   0.00054   2.14311
   A58        2.12128   0.00014  -0.00050  -0.00022  -0.00072   2.12056
   A59        2.01725  -0.00027   0.00022   0.00004   0.00026   2.01751
   A60        2.00487  -0.00020   0.00040  -0.00173  -0.00143   2.00344
   A61        1.86436   0.00024  -0.00111   0.00219   0.00107   1.86543
   A62        1.90875   0.00001   0.00041  -0.00054  -0.00007   1.90868
   A63        1.90358  -0.00003  -0.00003  -0.00006  -0.00003   1.90355
   A64        1.89307   0.00005  -0.00005  -0.00002  -0.00007   1.89300
   A65        1.88597  -0.00007   0.00038   0.00028   0.00065   1.88663
   A66        1.93361   0.00010  -0.00034   0.00003  -0.00029   1.93332
   A67        1.90067  -0.00002   0.00010  -0.00026  -0.00019   1.90048
   A68        1.91791  -0.00012   0.00024  -0.00008   0.00019   1.91810
   A69        1.90532  -0.00004   0.00011   0.00012   0.00026   1.90558
   A70        1.92306   0.00001   0.00007   0.00026   0.00030   1.92336
   A71        1.88234   0.00007  -0.00018  -0.00008  -0.00026   1.88208
   A72        1.97146  -0.00030   0.00039  -0.00019   0.00020   1.97166
   A73        1.90330   0.00014  -0.00032   0.00006  -0.00027   1.90304
   A74        1.87466   0.00015  -0.00033   0.00067   0.00034   1.87501
   A75        1.93215   0.00004   0.00000  -0.00082  -0.00082   1.93133
   A76        1.90517   0.00011  -0.00025   0.00027   0.00002   1.90519
   A77        1.87373  -0.00013   0.00052   0.00006   0.00059   1.87432
   A78        2.11339  -0.00015   0.00016   0.00042   0.00046   2.11385
   A79        2.08181   0.00008  -0.00018   0.00008  -0.00021   2.08160
   A80        2.08613   0.00006  -0.00009  -0.00061  -0.00051   2.08562
   A81        1.93425  -0.00003   0.00007  -0.00023  -0.00016   1.93408
   A82        1.91471  -0.00006   0.00012  -0.00032  -0.00020   1.91451
   A83        1.92909  -0.00002  -0.00004   0.00024   0.00020   1.92928
   A84        1.89218   0.00006  -0.00010   0.00027   0.00018   1.89236
   A85        1.90113   0.00002  -0.00002   0.00012   0.00010   1.90123
   A86        1.89156   0.00004  -0.00003  -0.00007  -0.00010   1.89146
   A87        1.93104  -0.00002   0.00010   0.00016   0.00026   1.93130
   A88        1.94115  -0.00004  -0.00007  -0.00039  -0.00046   1.94069
   A89        1.91627  -0.00003   0.00010   0.00030   0.00039   1.91667
   A90        1.89265   0.00003  -0.00006  -0.00022  -0.00028   1.89237
   A91        1.89356   0.00002   0.00000   0.00002   0.00002   1.89358
   A92        1.88795   0.00005  -0.00007   0.00014   0.00007   1.88802
   A93        1.96521  -0.00008   0.00024   0.00262   0.00306   1.96827
   A94        1.90673   0.00005   0.00057   0.00094   0.00142   1.90815
   A95        1.89501  -0.00003  -0.00087  -0.00321  -0.00412   1.89089
   A96        1.91083   0.00000   0.00014  -0.00064  -0.00058   1.91026
   A97        1.90324   0.00005  -0.00008   0.00006  -0.00006   1.90318
   A98        1.88091   0.00001  -0.00002   0.00011   0.00012   1.88103
   A99        2.09542  -0.00009   0.00012   0.00016   0.00028   2.09570
   A100       2.10462   0.00019  -0.00021  -0.00048  -0.00069   2.10393
   A101       2.08311  -0.00010   0.00010   0.00031   0.00041   2.08352
   A102       2.09938   0.00007  -0.00012  -0.00019  -0.00031   2.09907
   A103       2.10282  -0.00004   0.00008   0.00016   0.00024   2.10306
   A104       2.08086  -0.00003   0.00003   0.00004   0.00008   2.08094
   A105       2.13785   0.00008   0.00005   0.00066   0.00070   2.13855
   A106       2.06326   0.00006   0.00001   0.00027   0.00029   2.06354
   A107       2.08037  -0.00013  -0.00015  -0.00087  -0.00102   2.07935
   A108       2.10013   0.00004  -0.00006  -0.00020  -0.00027   2.09987
   A109       2.08963   0.00001  -0.00002  -0.00004  -0.00006   2.08957
   A110       2.09342  -0.00005   0.00009   0.00024   0.00033   2.09375
   A111       2.09738  -0.00002  -0.00003  -0.00030  -0.00033   2.09705
   A112       2.09890   0.00012  -0.00011  -0.00017  -0.00029   2.09861
   A113       2.08688  -0.00010   0.00014   0.00047   0.00061   2.08750
   A114       2.10063   0.00000  -0.00001  -0.00007  -0.00008   2.10054
   A115       2.08827   0.00002  -0.00005   0.00002  -0.00003   2.08823
   A116       2.09427  -0.00002   0.00006   0.00005   0.00011   2.09439
   A117       2.10016   0.00001  -0.00002   0.00000  -0.00002   2.10014
   A118       2.09098   0.00001  -0.00003   0.00004   0.00000   2.09099
   A119       2.09204  -0.00002   0.00005  -0.00004   0.00001   2.09206
   A120       1.93801  -0.00029  -0.00001  -0.00003  -0.00004   1.93797
   A121       1.87194   0.00003  -0.00001   0.00003   0.00002   1.87197
   A122       1.95621   0.00009  -0.00006  -0.00036  -0.00042   1.95579
   A123       1.88273   0.00022  -0.00010  -0.00037  -0.00047   1.88226
   A124       1.89192   0.00001   0.00001   0.00020   0.00022   1.89214
   A125       1.92180  -0.00006   0.00016   0.00053   0.00069   1.92250
   A126       2.09608   0.00001   0.00000  -0.00002  -0.00002   2.09606
   A127       2.09216   0.00001  -0.00001   0.00016   0.00015   2.09231
   A128       2.09494  -0.00003   0.00001  -0.00014  -0.00013   2.09481
   A129       2.09811   0.00007  -0.00004   0.00004   0.00000   2.09811
   A130       2.08883  -0.00004   0.00003  -0.00008  -0.00005   2.08878
   A131       2.09624  -0.00003   0.00001   0.00004   0.00006   2.09629
   A132       2.09155   0.00000   0.00004   0.00017   0.00021   2.09176
   A133       2.09558  -0.00002  -0.00001  -0.00020  -0.00021   2.09537
   A134       2.09606   0.00001  -0.00002   0.00003   0.00000   2.09606
   A135       2.09662   0.00002  -0.00001   0.00000  -0.00002   2.09661
   A136       2.09203   0.00000   0.00000   0.00001   0.00001   2.09204
   A137       2.09453  -0.00001   0.00001  -0.00001   0.00001   2.09454
   A138       2.09708   0.00000   0.00000  -0.00005  -0.00005   2.09703
   A139       2.09180   0.00000   0.00001   0.00004   0.00004   2.09184
   A140       2.09431   0.00000  -0.00001   0.00001   0.00001   2.09431
   A141       2.09102   0.00000   0.00001   0.00007   0.00009   2.09111
   A142       2.09582  -0.00001   0.00000  -0.00002  -0.00002   2.09580
   A143       2.09635   0.00000  -0.00002  -0.00005  -0.00007   2.09628
   A144       2.04610  -0.00003  -0.00055   0.00037  -0.00018   2.04592
   A145       2.11499  -0.00006   0.00063   0.00034   0.00097   2.11597
   A146       2.11806   0.00009  -0.00005  -0.00061  -0.00066   2.11740
   A147       2.06852  -0.00003   0.00004   0.00015   0.00018   2.06870
   A148       2.11280  -0.00006   0.00006   0.00115   0.00122   2.11402
   A149       2.10184   0.00009  -0.00010  -0.00130  -0.00140   2.10044
   A150       2.06859  -0.00006   0.00002   0.00035   0.00037   2.06896
   A151       2.12075  -0.00011   0.00036   0.00102   0.00138   2.12213
   A152       2.09381   0.00017  -0.00038  -0.00138  -0.00175   2.09205
   A153       2.10616  -0.00005   0.00004   0.00028   0.00031   2.10647
   A154       2.08367   0.00010  -0.00011   0.00043   0.00032   2.08398
   A155       2.09336  -0.00004   0.00007  -0.00070  -0.00063   2.09273
   A156       2.10620  -0.00001   0.00006   0.00005   0.00011   2.10631
   A157       2.08428  -0.00003  -0.00003  -0.00054  -0.00057   2.08371
   A158       2.09269   0.00004  -0.00003   0.00049   0.00046   2.09315
   A159       1.93910   0.00003  -0.00012  -0.00029  -0.00041   1.93869
   A160       1.92099   0.00002  -0.00013  -0.00043  -0.00056   1.92044
   A161       1.92700  -0.00004   0.00029   0.00090   0.00120   1.92820
   A162       1.88994  -0.00001   0.00002  -0.00023  -0.00021   1.88973
   A163       1.89384  -0.00001  -0.00003  -0.00085  -0.00088   1.89296
   A164       1.89182   0.00001  -0.00004   0.00090   0.00086   1.89268
   A165       1.93755   0.00001  -0.00010  -0.00017  -0.00028   1.93727
   A166       1.92677  -0.00004   0.00009   0.00005   0.00014   1.92690
   A167       1.92484  -0.00002   0.00018   0.00037   0.00055   1.92539
   A168       1.89334   0.00004  -0.00020  -0.00041  -0.00061   1.89273
   A169       1.88914   0.00003  -0.00012  -0.00015  -0.00027   1.88887
   A170       1.89100  -0.00001   0.00014   0.00031   0.00045   1.89145
   A171       2.09863   0.00006  -0.00011  -0.00027  -0.00037   2.09826
   A172       2.09272  -0.00010   0.00012  -0.00047  -0.00035   2.09237
   A173       2.09182   0.00004  -0.00002   0.00074   0.00072   2.09255
    D1       -0.32928   0.00018   0.02094   0.07068   0.09163  -0.23765
    D2       -2.47252   0.00027   0.02012   0.06759   0.08770  -2.38481
    D3        1.78398   0.00022   0.02070   0.06846   0.08916   1.87314
    D4        2.39957  -0.00018  -0.00080  -0.00197  -0.00278   2.39679
    D5       -1.83055  -0.00006  -0.00093  -0.00242  -0.00335  -1.83391
    D6        0.28074  -0.00006  -0.00077  -0.00196  -0.00273   0.27800
    D7       -2.11813   0.00016  -0.00437  -0.00518  -0.00955  -2.12769
    D8        1.11855   0.00014  -0.00470  -0.00638  -0.01109   1.10747
    D9        0.93329  -0.00009   0.00481  -0.00269   0.00212   0.93541
   D10       -1.22136  -0.00027   0.00514  -0.00271   0.00243  -1.21893
   D11        2.99511  -0.00005   0.00430  -0.00312   0.00117   2.99628
   D12       -2.70460   0.00025  -0.00428   0.01081   0.00653  -2.69807
   D13        1.42394   0.00007  -0.00395   0.01078   0.00684   1.43078
   D14       -0.64278   0.00029  -0.00480   0.01037   0.00558  -0.63720
   D15        2.47606   0.00002  -0.00651   0.00752   0.00100   2.47706
   D16       -1.69381   0.00003  -0.00710   0.00794   0.00083  -1.69297
   D17        0.34319   0.00009  -0.00704   0.00919   0.00215   0.34534
   D18       -0.15517  -0.00003   0.00271  -0.00690  -0.00424  -0.15941
   D19        1.95815  -0.00003   0.00212  -0.00648  -0.00441   1.95374
   D20       -2.28804   0.00003   0.00218  -0.00524  -0.00309  -2.29113
   D21        0.18956  -0.00027   0.00457  -0.01654  -0.01199   0.17757
   D22       -3.01787  -0.00035   0.00201  -0.01852  -0.01657  -3.03445
   D23        2.82541   0.00012  -0.00462  -0.00188  -0.00649   2.81892
   D24       -0.38202   0.00004  -0.00719  -0.00386  -0.01108  -0.39310
   D25       -0.96823  -0.00022   0.00915  -0.00111   0.00805  -0.96018
   D26        3.13439  -0.00007   0.00874  -0.00036   0.00838  -3.14042
   D27        1.08608  -0.00025   0.00956   0.00047   0.01003   1.09612
   D28        2.32009  -0.00019   0.00777  -0.00244   0.00534   2.32542
   D29        0.13952  -0.00004   0.00736  -0.00169   0.00567   0.14519
   D30       -1.90879  -0.00022   0.00818  -0.00086   0.00732  -1.90146
   D31        0.17871  -0.00007   0.00178  -0.00192  -0.00013   0.17857
   D32       -3.03146  -0.00003   0.00186  -0.00071   0.00115  -3.03031
   D33       -3.11188  -0.00008   0.00317  -0.00058   0.00259  -3.10929
   D34       -0.03886  -0.00004   0.00325   0.00063   0.00387  -0.03499
   D35       -1.69570  -0.00005  -0.00211  -0.01739  -0.01950  -1.71520
   D36        2.44444  -0.00002  -0.00186  -0.01665  -0.01851   2.42593
   D37        0.35709   0.00000  -0.00202  -0.01602  -0.01804   0.33905
   D38        1.11378   0.00002  -0.00444  -0.01345  -0.01789   1.09590
   D39       -1.02926   0.00005  -0.00419  -0.01271  -0.01690  -1.04616
   D40       -3.11662   0.00007  -0.00435  -0.01208  -0.01643  -3.13305
   D41       -0.13668   0.00009  -0.00197   0.00633   0.00436  -0.13232
   D42        3.06885   0.00006  -0.00020   0.00517   0.00497   3.07382
   D43       -2.93966   0.00002   0.00042   0.00252   0.00293  -2.93673
   D44        0.26587  -0.00001   0.00219   0.00136   0.00355   0.26942
   D45       -2.93211  -0.00004   0.00560   0.01485   0.02037  -2.91174
   D46        0.27412   0.00005   0.00811   0.01678   0.02484   0.29896
   D47       -0.08629  -0.00023  -0.00944  -0.03550  -0.04485  -0.13114
   D48        3.11994  -0.00014  -0.00693  -0.03356  -0.04038   3.07957
   D49        0.35744  -0.00010  -0.00420  -0.01689  -0.02099   0.33645
   D50        2.48446  -0.00012  -0.00346  -0.01529  -0.01866   2.46580
   D51       -1.75180  -0.00010  -0.00366  -0.01645  -0.02005  -1.77185
   D52       -2.48024   0.00008   0.01127   0.03483   0.04606  -2.43418
   D53       -0.35322   0.00006   0.01201   0.03643   0.04839  -0.30483
   D54        1.69370   0.00008   0.01181   0.03528   0.04700   1.74070
   D55       -0.89536  -0.00023  -0.00367  -0.00625  -0.00992  -0.90528
   D56        1.23896  -0.00017  -0.00289  -0.00483  -0.00771   1.23125
   D57       -3.02503  -0.00014  -0.00314  -0.00469  -0.00783  -3.03286
   D58        1.30202  -0.00007  -0.00360  -0.00763  -0.01123   1.29079
   D59       -2.84684  -0.00001  -0.00282  -0.00620  -0.00902  -2.85587
   D60       -0.82764   0.00002  -0.00308  -0.00606  -0.00914  -0.83678
   D61       -2.96482  -0.00007  -0.00386  -0.00733  -0.01119  -2.97602
   D62       -0.83050  -0.00001  -0.00308  -0.00590  -0.00899  -0.83949
   D63        1.18870   0.00002  -0.00334  -0.00577  -0.00910   1.17959
   D64       -1.07665   0.00004  -0.00168   0.00264   0.00096  -1.07569
   D65        1.06614   0.00002  -0.00199   0.00114  -0.00086   1.06528
   D66        3.10134  -0.00004  -0.00181   0.00157  -0.00024   3.10110
   D67        2.97455   0.00012  -0.00248   0.00315   0.00067   2.97521
   D68       -1.16585   0.00010  -0.00280   0.00165  -0.00115  -1.16700
   D69        0.86935   0.00004  -0.00262   0.00208  -0.00054   0.86882
   D70        0.97348   0.00010  -0.00248   0.00205  -0.00043   0.97305
   D71        3.11628   0.00008  -0.00279   0.00055  -0.00224   3.11403
   D72       -1.13171   0.00002  -0.00261   0.00098  -0.00163  -1.13334
   D73        3.03039   0.00011  -0.00330   0.00111  -0.00219   3.02820
   D74        0.91403   0.00011  -0.00365   0.00134  -0.00231   0.91172
   D75       -1.19361   0.00016  -0.00376   0.00236  -0.00141  -1.19502
   D76       -1.08553  -0.00009  -0.00250   0.00038  -0.00212  -1.08766
   D77        3.08129  -0.00009  -0.00285   0.00060  -0.00224   3.07905
   D78        0.97365  -0.00005  -0.00296   0.00162  -0.00134   0.97231
   D79        0.96852   0.00003  -0.00251   0.00042  -0.00209   0.96644
   D80       -1.14784   0.00002  -0.00286   0.00065  -0.00221  -1.15005
   D81        3.02770   0.00007  -0.00297   0.00167  -0.00130   3.02640
   D82        1.67313   0.00034  -0.00322   0.00673   0.00351   1.67663
   D83       -1.40080   0.00031  -0.00333   0.00552   0.00219  -1.39862
   D84       -0.53357   0.00016  -0.00311   0.00775   0.00463  -0.52893
   D85        2.67569   0.00012  -0.00323   0.00654   0.00331   2.67900
   D86       -2.56510   0.00009  -0.00286   0.00802   0.00516  -2.55994
   D87        0.64415   0.00006  -0.00297   0.00681   0.00384   0.64799
   D88        1.72671  -0.00003  -0.00274  -0.02725  -0.03000   1.69671
   D89       -2.45492  -0.00006  -0.00121  -0.02262  -0.02383  -2.47875
   D90       -0.35834  -0.00002  -0.00192  -0.02261  -0.02453  -0.38287
   D91       -0.39892  -0.00001  -0.00340  -0.02798  -0.03139  -0.43031
   D92        1.70264  -0.00003  -0.00187  -0.02335  -0.02522   1.67742
   D93       -2.48397   0.00000  -0.00258  -0.02333  -0.02592  -2.50989
   D94       -2.45311  -0.00005  -0.00315  -0.02784  -0.03098  -2.48409
   D95       -0.35155  -0.00007  -0.00161  -0.02321  -0.02482  -0.37637
   D96        1.74503  -0.00004  -0.00233  -0.02319  -0.02551   1.71951
   D97       -1.14376   0.00006   0.00351   0.00509   0.00860  -1.13516
   D98        1.02728  -0.00007   0.00361   0.00379   0.00740   1.03469
   D99        3.08187   0.00005   0.00318   0.00492   0.00810   3.08997
   D100       2.97557   0.00000   0.00173   0.00029   0.00201   2.97759
   D101      -1.13657  -0.00013   0.00183  -0.00101   0.00082  -1.13575
   D102       0.91802  -0.00002   0.00140   0.00012   0.00152   0.91953
   D103       0.86535   0.00000   0.00234   0.00078   0.00312   0.86847
   D104       3.03640  -0.00013   0.00244  -0.00052   0.00192   3.03832
   D105      -1.19220  -0.00001   0.00201   0.00061   0.00262  -1.18958
   D106      -1.06833   0.00008  -0.00074  -0.00329  -0.00403  -1.07237
   D107       3.12599   0.00007  -0.00074  -0.00327  -0.00402   3.12197
   D108       1.04112   0.00008  -0.00075  -0.00314  -0.00389   1.03724
   D109       1.06574  -0.00006  -0.00029  -0.00452  -0.00481   1.06093
   D110      -1.02313  -0.00007  -0.00029  -0.00451  -0.00480  -1.02793
   D111      -3.10799  -0.00006  -0.00030  -0.00437  -0.00467  -3.11266
   D112      -3.12821  -0.00004  -0.00014  -0.00475  -0.00489  -3.13311
   D113       1.06610  -0.00005  -0.00015  -0.00473  -0.00488   1.06123
   D114      -1.01876  -0.00004  -0.00015  -0.00459  -0.00475  -1.02351
   D115       0.89823   0.00004  -0.00156  -0.00090  -0.00246   0.89577
   D116      -1.20642   0.00005  -0.00151  -0.00046  -0.00198  -1.20840
   D117       2.98779   0.00003  -0.00144  -0.00059  -0.00202   2.98576
   D118      -1.20973  -0.00003  -0.00154  -0.00124  -0.00278  -1.21252
   D119       2.96879  -0.00002  -0.00149  -0.00080  -0.00229   2.96650
   D120       0.87982  -0.00004  -0.00142  -0.00092  -0.00234   0.87748
   D121       2.99561   0.00001  -0.00163  -0.00138  -0.00302   2.99259
   D122       0.89095   0.00002  -0.00158  -0.00095  -0.00253   0.88842
   D123      -1.19802   0.00000  -0.00151  -0.00107  -0.00258  -1.20060
   D124      -1.04912   0.00005   0.00336   0.00163   0.00499  -1.04413
   D125       1.10700  -0.00001   0.00339   0.00048   0.00387   1.11087
   D126       3.13234  -0.00002   0.00366   0.00095   0.00461   3.13695
   D127       3.06330   0.00005   0.00358   0.00324   0.00682   3.07012
   D128      -1.06376  -0.00001   0.00361   0.00209   0.00570  -1.05806
   D129       0.96158  -0.00001   0.00388   0.00256   0.00644   0.96802
   D130       1.02645  -0.00004   0.00389   0.00090   0.00478   1.03123
   D131      -3.10061  -0.00010   0.00392  -0.00025   0.00367  -3.09695
   D132      -1.07528  -0.00010   0.00419   0.00022   0.00441  -1.07087
   D133      -1.53325   0.00009   0.00020  -0.01032  -0.01012  -1.54337
   D134       1.61634   0.00017  -0.00041  -0.00932  -0.00972   1.60662
   D135       2.60888  -0.00009   0.00058  -0.00910  -0.00851   2.60036
   D136      -0.52472  -0.00001  -0.00002  -0.00809  -0.00812  -0.53283
   D137       0.55259  -0.00003   0.00067  -0.00939  -0.00871   0.54388
   D138      -2.58100   0.00005   0.00007  -0.00839  -0.00832  -2.58931
   D139       0.75097   0.00008   0.00070   0.00577   0.00642   0.75739
   D140       2.84672   0.00007   0.00069   0.00577   0.00643   2.85315
   D141      -1.37818   0.00008   0.00067   0.00548   0.00611  -1.37207
   D142      -1.34076  -0.00008   0.00189   0.00414   0.00601  -1.33475
   D143       0.75500  -0.00008   0.00188   0.00415   0.00602   0.76102
   D144       2.81328  -0.00008   0.00186   0.00385   0.00570   2.81898
   D145       2.89229  -0.00001   0.00147   0.00385   0.00529   2.89758
   D146      -1.29514  -0.00001   0.00146   0.00386   0.00530  -1.28984
   D147       0.76314  -0.00001   0.00144   0.00356   0.00498   0.76812
   D148      -0.84522   0.00008  -0.00010   0.00509   0.00494  -0.84028
   D149      -2.96991   0.00007  -0.00109   0.00259   0.00146  -2.96844
   D150       1.25931   0.00003  -0.00110   0.00278   0.00168   1.26099
   D151      -2.93819   0.00006  -0.00008   0.00532   0.00519  -2.93300
   D152       1.22030   0.00006  -0.00107   0.00281   0.00172   1.22202
   D153      -0.83366   0.00001  -0.00108   0.00301   0.00194  -0.83173
   D154       1.28092   0.00000   0.00003   0.00519   0.00518   1.28609
   D155      -0.84377  -0.00001  -0.00096   0.00268   0.00170  -0.84207
   D156      -2.89774  -0.00005  -0.00097   0.00288   0.00192  -2.89582
   D157      -1.21224  -0.00002  -0.00312  -0.00803  -0.01115  -1.22339
   D158       1.94665  -0.00003  -0.00299  -0.00871  -0.01171   1.93495
   D159       2.93084  -0.00001  -0.00298  -0.00736  -0.01034   2.92051
   D160      -0.19345  -0.00002  -0.00285  -0.00804  -0.01089  -0.20434
   D161       0.87197   0.00006  -0.00346  -0.00711  -0.01058   0.86140
   D162      -2.25232   0.00005  -0.00333  -0.00780  -0.01113  -2.26345
   D163      -3.13255   0.00005  -0.00038   0.00122   0.00084  -3.13171
   D164       0.00558   0.00008  -0.00063   0.00145   0.00081   0.00639
   D165       0.00114  -0.00003   0.00021   0.00023   0.00044   0.00158
   D166       3.13927   0.00000  -0.00004   0.00045   0.00042   3.13968
   D167       3.13437  -0.00008   0.00057  -0.00204  -0.00147   3.13290
   D168      -0.01472   0.00007  -0.00025  -0.00157  -0.00182  -0.01654
   D169       0.00073   0.00000  -0.00003  -0.00105  -0.00108  -0.00035
   D170       3.13482   0.00015  -0.00085  -0.00058  -0.00142   3.13339
   D171      -3.12382  -0.00002   0.00029  -0.00057  -0.00028  -3.12410
   D172       0.02438  -0.00003   0.00053  -0.00070  -0.00017   0.02421
   D173       0.00069  -0.00001   0.00017   0.00010   0.00027   0.00096
   D174      -3.13429  -0.00002   0.00040  -0.00003   0.00038  -3.13392
   D175       3.12240   0.00002  -0.00024   0.00083   0.00059   3.12299
   D176      -0.01924   0.00000  -0.00022   0.00009  -0.00012  -0.01936
   D177      -0.00208   0.00001  -0.00011   0.00016   0.00005  -0.00203
   D178       3.13947  -0.00001  -0.00009  -0.00058  -0.00067   3.13880
   D179       2.74435   0.00000  -0.00371  -0.01083  -0.01454   2.72981
   D180       0.69786  -0.00001  -0.00364  -0.01062  -0.01426   0.68360
   D181      -1.38274  -0.00007  -0.00378  -0.01116  -0.01495  -1.39768
   D182      -0.45844   0.00003  -0.00541  -0.00970  -0.01511  -0.47355
   D183      -2.50493   0.00002  -0.00534  -0.00949  -0.01483  -2.51976
   D184       1.69766  -0.00004  -0.00548  -0.01003  -0.01551   1.68214
   D185      -0.00160   0.00004  -0.00023   0.00064   0.00042  -0.00119
   D186       3.13831   0.00004  -0.00032   0.00050   0.00018   3.13848
   D187      -3.13972   0.00001   0.00002   0.00042   0.00044  -3.13928
   D188       0.00019   0.00000  -0.00007   0.00028   0.00020   0.00039
   D189      -0.00215   0.00003  -0.00013   0.00100   0.00087  -0.00128
   D190       3.13584   0.00010  -0.00050   0.00181   0.00131   3.13715
   D191      -3.13629  -0.00012   0.00068   0.00054   0.00121  -3.13507
   D192       0.00169  -0.00005   0.00031   0.00134   0.00166   0.00335
   D193       0.00124   0.00000  -0.00009  -0.00020  -0.00029   0.00095
   D194      -3.13883   0.00000  -0.00010  -0.00015  -0.00025  -3.13908
   D195       3.13621   0.00002  -0.00033  -0.00007  -0.00040   3.13580
   D196      -0.00387   0.00002  -0.00034  -0.00002  -0.00036  -0.00423
   D197       0.00153   0.00000  -0.00002  -0.00032  -0.00034   0.00119
   D198      -3.14030  -0.00001   0.00001  -0.00058  -0.00058  -3.14088
   D199      -3.14001   0.00001  -0.00004   0.00042   0.00038  -3.13964
   D200       0.00133   0.00001  -0.00001   0.00016   0.00014   0.00147
   D201       0.00019  -0.00001   0.00006  -0.00070  -0.00064  -0.00045
   D202      -3.14123  -0.00005   0.00019  -0.00093  -0.00075   3.14121
   D203      -3.13972  -0.00001   0.00016  -0.00056  -0.00040  -3.14012
   D204       0.00205  -0.00004   0.00029  -0.00079  -0.00051   0.00154
   D205       0.00169  -0.00003   0.00012  -0.00012  -0.00001   0.00168
   D206      -3.14008   0.00001  -0.00001   0.00011   0.00010  -3.13998
   D207      -3.13628  -0.00009   0.00048  -0.00093  -0.00045  -3.13673
   D208       0.00514  -0.00006   0.00036  -0.00070  -0.00034   0.00480
   D209      -0.00180   0.00000  -0.00004   0.00004   0.00000  -0.00180
   D210       3.14020   0.00001  -0.00011   0.00020   0.00009   3.14029
   D211       3.13827   0.00000  -0.00003  -0.00001  -0.00004   3.13823
   D212      -0.00292   0.00001  -0.00010   0.00015   0.00005  -0.00287
   D213       0.00041   0.00000   0.00009   0.00022   0.00032   0.00073
   D214      -3.14158  -0.00001   0.00016   0.00006   0.00022  -3.14136
   D215      -3.14093   0.00000   0.00007   0.00048   0.00055  -3.14038
   D216       0.00026   0.00000   0.00014   0.00032   0.00046   0.00072
   D217      -3.06053   0.00000  -0.00086  -0.00317  -0.00403  -3.06456
   D218       0.07350   0.00000  -0.00070  -0.00287  -0.00356   0.06994
   D219      -0.01421   0.00001  -0.00049  -0.00191  -0.00240  -0.01662
   D220       3.11982   0.00002  -0.00033  -0.00161  -0.00193   3.11789
   D221       3.06429   0.00000   0.00090   0.00369   0.00459   3.06888
   D222      -0.06891   0.00000   0.00107   0.00457   0.00564  -0.06327
   D223       0.02172  -0.00001   0.00058   0.00238   0.00296   0.02468
   D224      -3.11147  -0.00001   0.00075   0.00326   0.00401  -3.10746
   D225      -0.00332   0.00000   0.00007   0.00025   0.00032  -0.00299
   D226       3.13966   0.00001  -0.00004  -0.00020  -0.00024   3.13941
   D227      -3.13740  -0.00001  -0.00009  -0.00006  -0.00015  -3.13755
   D228       0.00557   0.00000  -0.00021  -0.00051  -0.00072   0.00485
   D229      -2.86312   0.00000   0.00611   0.01618   0.02230  -2.84082
   D230       1.32683  -0.00002   0.00625   0.01693   0.02318   1.35002
   D231      -0.76102  -0.00003   0.00619   0.01553   0.02171  -0.73931
   D232       0.27077   0.00000   0.00628   0.01650   0.02278   0.29355
   D233      -1.82246  -0.00002   0.00642   0.01725   0.02367  -1.79879
   D234       2.37287  -0.00002   0.00636   0.01584   0.02220   2.39506
   D235      -0.01189   0.00001  -0.00025  -0.00121  -0.00147  -0.01336
   D236       3.13675   0.00000  -0.00018  -0.00151  -0.00170   3.13505
   D237       3.12143   0.00001  -0.00042  -0.00207  -0.00248   3.11895
   D238      -0.01311   0.00000  -0.00035  -0.00237  -0.00271  -0.01583
   D239       2.81786   0.00001  -0.00133  -0.00305  -0.00438   2.81347
   D240       0.71756  -0.00002  -0.00107  -0.00246  -0.00353   0.71403
   D241      -1.37158   0.00003  -0.00142  -0.00311  -0.00454  -1.37611
   D242      -0.31522   0.00001  -0.00116  -0.00217  -0.00333  -0.31855
   D243      -2.41551  -0.00002  -0.00091  -0.00157  -0.00248  -2.41799
   D244       1.77854   0.00003  -0.00126  -0.00222  -0.00348   1.77505
   D245       0.01295  -0.00001   0.00025   0.00089   0.00114   0.01409
   D246      -3.13375   0.00001   0.00012   0.00064   0.00076  -3.13299
   D247      -3.13003  -0.00001   0.00036   0.00135   0.00171  -3.12832
   D248       0.00646   0.00000   0.00023   0.00109   0.00133   0.00779
   D249      -0.00516   0.00001  -0.00015  -0.00040  -0.00056  -0.00572
   D250       3.14153  -0.00001  -0.00002  -0.00015  -0.00017   3.14136
   D251       3.12935   0.00002  -0.00022  -0.00011  -0.00033   3.12902
   D252      -0.00714   0.00000  -0.00009   0.00015   0.00006  -0.00708
         Item               Value     Threshold  Converged?
 Maximum Force            0.001116     0.000450     NO 
 RMS     Force            0.000134     0.000300     YES
 Maximum Displacement     0.382650     0.001800     NO 
 RMS     Displacement     0.056254     0.001200     NO 
 Predicted change in Energy=-6.226294D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.096345   -0.091561   -1.372324
      2          8           0       -2.982080    0.044034   -2.505668
      3          8           0       -3.497801   -2.029086    1.477671
      4          8           0        2.080139    1.969309    2.218668
      5          8           0        3.498102   -1.182234    1.392501
      6          7           0       -3.106391   -2.694394   -0.725563
      7          7           0       -3.190494    0.406140   -0.242803
      8          7           0        2.147084    0.917470    0.173255
      9          7           0       -1.802315   -3.531241    1.143217
     10          6           0       -2.695802    1.764355   -0.211299
     11          6           0       -4.072354   -1.711095   -1.180702
     12          6           0       -1.351728    1.979573   -0.929319
     13          6           0       -0.247134    1.022152   -0.500453
     14          6           0       -4.811300   -2.102035   -2.478332
     15          6           0        1.133539    1.746438   -0.436789
     16          6           0       -2.593481    2.287170    1.237997
     17          6           0       -3.387497   -0.327468   -1.381857
     18          6           0       -2.094175   -3.130784   -1.668720
     19          6           0       -0.711701   -3.356991   -1.064288
     20          6           0        1.533792    2.193321   -1.855447
     21          6           0       -2.811763   -2.702636    0.661885
     22          6           0       -5.896116   -1.078337   -2.756040
     23          6           0       -5.424415   -3.481617   -2.369709
     24          6           0       -0.817079   -4.099552    0.265410
     25          6           0       -3.918520    2.317622    1.914126
     26          6           0        2.794490    2.980438   -1.881584
     27          6           0        2.503956    1.044023    1.493853
     28          6           0       -4.733646    3.451361    1.809801
     29          6           0       -4.358679    1.222038    2.667002
     30          6           0        2.828851    4.276300   -1.351061
     31          6           0        3.954351    2.445045   -2.453267
     32          6           0        3.521066    0.069542    2.086442
     33          6           0       -5.970304    3.489806    2.450662
     34          6           0       -5.597616    1.263474    3.305840
     35          6           0       -6.404175    2.396030    3.199942
     36          6           0        4.004095    5.023456   -1.393381
     37          6           0        5.129022    3.194826   -2.495767
     38          6           0        5.156134    4.484622   -1.966751
     39          6           0        4.757758   -1.716045    1.130097
     40          6           0        5.082762   -1.968625   -0.217303
     41          6           0        5.621390   -2.093855    2.173484
     42          6           0        6.301441   -2.590435   -0.504935
     43          6           0        6.837344   -2.705540    1.846895
     44          6           0        4.156797   -1.595776   -1.310773
     45          6           0        5.266596   -1.869823    3.593742
     46          6           0        7.176039   -2.948702    0.518688
     47          1           0       -3.450522    2.416452   -0.754205
     48          1           0       -4.859538   -1.618686   -0.367876
     49          1           0       -1.521226    1.882435   -2.036730
     50          1           0       -1.035782    3.036717   -0.728715
     51          1           0       -0.479730    0.603450    0.522040
     52          1           0       -4.075030   -2.082896   -3.330303
     53          1           0        1.003231    2.664700    0.212298
     54          1           0       -3.519478    0.030176    0.625211
     55          1           0       -1.876779    1.652212    1.823713
     56          1           0       -2.165794    3.324067    1.198775
     57          1           0       -2.461967   -4.097879   -2.120215
     58          1           0       -2.001794   -2.369251   -2.497897
     59          1           0       -0.099582   -3.964673   -1.777279
     60          1           0       -0.192341   -2.371583   -0.918214
     61          1           0        1.618274    1.287942   -2.514505
     62          1           0        0.696467    2.824792   -2.258121
     63          1           0       -6.644666   -1.058951   -1.927944
     64          1           0       -6.425389   -1.338719   -3.704178
     65          1           0       -5.453479   -0.058892   -2.868427
     66          1           0       -6.038906   -3.567583   -1.441329
     67          1           0       -4.637079   -4.272350   -2.346082
     68          1           0       -6.084540   -3.673237   -3.250718
     69          1           0        0.186165   -4.095060    0.778148
     70          1           0       -1.097338   -5.175188    0.065606
     71          1           0        2.371122    0.070900   -0.300884
     72          1           0       -1.600054   -3.458440    2.112280
     73          1           0       -0.868747   -0.137061   -1.953547
     74          1           0       -4.392713    4.315949    1.221311
     75          1           0       -3.731591    0.318813    2.752372
     76          1           0        1.923115    4.701192   -0.893542
     77          1           0        3.938724    1.427066   -2.870439
     78          1           0        3.223602   -0.133774    3.150374
     79          1           0        4.532657    0.550418    2.053607
     80          1           0       -6.603462    4.384990    2.366358
     81          1           0       -5.937536    0.396755    3.891820
     82          1           0       -7.379966    2.427213    3.705665
     83          1           0        4.022709    6.039257   -0.972315
     84          1           0        6.035675    2.766687   -2.947408
     85          1           0        6.082716    5.075301   -2.000838
     86          1           0        6.568951   -2.796464   -1.552426
     87          1           0        7.526584   -3.001275    2.652288
     88          1           0        4.415208   -2.131859   -2.256549
     89          1           0        4.215406   -0.493747   -1.504326
     90          1           0        3.102805   -1.851244   -1.035374
     91          1           0        5.882401   -2.515442    4.267057
     92          1           0        4.186770   -2.105305    3.767859
     93          1           0        5.444387   -0.801073    3.874814
     94          1           0        8.135142   -3.430014    0.276742
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0842811      0.0409099      0.0357211
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3235.7540328311 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246535607650     A.U. after   14 cycles
             Convg  =    0.5125D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000056852    0.000807420    0.000182863
      2        8          -0.000213147    0.000440483   -0.000307686
      3        8          -0.000373531    0.000012892   -0.000060223
      4        8          -0.000049989    0.000058613    0.000016996
      5        8           0.000072087    0.000231937   -0.000043187
      6        7           0.000676690   -0.000941337   -0.002507549
      7        7           0.000493838    0.000481574   -0.000482619
      8        7          -0.000108733    0.000099822    0.000177962
      9        7           0.000891387    0.000446201    0.000438066
     10        6           0.000058830   -0.000054432   -0.000055886
     11        6           0.000343085    0.000788937    0.000439573
     12        6           0.000583520    0.000368242   -0.000037553
     13        6          -0.000429888   -0.000131000    0.000049800
     14        6          -0.000262577   -0.000234284   -0.000092012
     15        6          -0.000251567   -0.000211328   -0.000044974
     16        6          -0.000354755    0.000082721    0.000136073
     17        6           0.000157717   -0.000682942    0.000711010
     18        6          -0.000166988    0.000931531    0.000049453
     19        6           0.000396131    0.000214791   -0.000179915
     20        6           0.000198435    0.000167110   -0.000130134
     21        6          -0.001696606   -0.000875128    0.001683768
     22        6           0.000082589    0.000006963    0.000120559
     23        6           0.000031538    0.000210974    0.000192093
     24        6          -0.000256444   -0.000206608    0.000110256
     25        6           0.000202294   -0.000104585   -0.000105750
     26        6          -0.000026925    0.000160018   -0.000084044
     27        6           0.000030090   -0.000219378   -0.000029727
     28        6           0.000241155    0.000005610   -0.000162586
     29        6          -0.000374775    0.000238510    0.000047855
     30        6           0.000123591   -0.000021988    0.000008931
     31        6          -0.000077634    0.000017214   -0.000023870
     32        6           0.000044936   -0.000299191    0.000171401
     33        6           0.000038584    0.000150072   -0.000077315
     34        6           0.000082619   -0.000172208    0.000120141
     35        6          -0.000095693   -0.000088366   -0.000014245
     36        6           0.000008514    0.000047532    0.000057801
     37        6          -0.000036734   -0.000005270   -0.000065295
     38        6          -0.000001575    0.000024315    0.000059880
     39        6          -0.000272448   -0.000402025    0.000297878
     40        6          -0.000292016    0.000180382   -0.000207714
     41        6           0.000497099    0.000134274   -0.000311780
     42        6           0.000264551   -0.000024515    0.000094367
     43        6          -0.000194739    0.000116722   -0.000039638
     44        6           0.000027238    0.000010472   -0.000340930
     45        6          -0.000031236   -0.000057815    0.000201235
     46        6          -0.000180545    0.000028123    0.000087681
     47        1           0.000033254   -0.000328493    0.000222659
     48        1           0.000088917   -0.000101135   -0.000153068
     49        1           0.000009727    0.000043339    0.000222294
     50        1          -0.000039718   -0.000012145   -0.000227519
     51        1           0.000176036   -0.000072158    0.000035709
     52        1          -0.000013935   -0.000015577    0.000124449
     53        1           0.000035766   -0.000085806   -0.000125593
     54        1           0.000098494   -0.000467777    0.000552480
     55        1           0.000175467    0.000121182   -0.000215520
     56        1          -0.000192470   -0.000227392    0.000133012
     57        1           0.000022193   -0.000196477    0.000149176
     58        1          -0.000256518   -0.000251941    0.000050019
     59        1           0.000030733    0.000083665    0.000126512
     60        1          -0.000203576   -0.000086160   -0.000136505
     61        1          -0.000047045   -0.000033867    0.000077382
     62        1          -0.000092719    0.000062563    0.000197926
     63        1          -0.000006680    0.000075106   -0.000060590
     64        1          -0.000012537   -0.000007507    0.000108460
     65        1           0.000004376   -0.000072529   -0.000067468
     66        1          -0.000055033    0.000038216   -0.000047572
     67        1           0.000042974    0.000009203    0.000032288
     68        1          -0.000044894   -0.000029315   -0.000020227
     69        1           0.000070084   -0.000073503   -0.000108614
     70        1           0.000040250    0.000065576    0.000021667
     71        1           0.000129661   -0.000123530    0.000127512
     72        1           0.000141449   -0.000063436   -0.000333733
     73        1           0.000016148   -0.000502021   -0.000223885
     74        1          -0.000089502   -0.000035912    0.000001782
     75        1           0.000243342    0.000271785   -0.000309338
     76        1          -0.000082904   -0.000001872   -0.000017490
     77        1           0.000060445    0.000027068    0.000063961
     78        1           0.000197520    0.000176015   -0.000151048
     79        1          -0.000052132    0.000128469   -0.000029697
     80        1          -0.000075267    0.000000447    0.000026482
     81        1           0.000066446    0.000065113   -0.000062427
     82        1          -0.000032391    0.000058620   -0.000035265
     83        1          -0.000013906   -0.000012950   -0.000056767
     84        1           0.000029529   -0.000029567    0.000033051
     85        1           0.000023045   -0.000040997   -0.000037695
     86        1           0.000005277   -0.000045026   -0.000007003
     87        1           0.000030170    0.000013175   -0.000008010
     88        1           0.000037388   -0.000095895    0.000136122
     89        1          -0.000050962    0.000050607   -0.000008344
     90        1          -0.000014755    0.000079908   -0.000058084
     91        1           0.000040319   -0.000035126    0.000000713
     92        1          -0.000121755    0.000033247    0.000032384
     93        1          -0.000114439   -0.000049256   -0.000055621
     94        1           0.000023011   -0.000036988    0.000030034
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002507549 RMS     0.000304402

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002033663 RMS     0.000229069
 Search for a local minimum.
 Step number  25 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   22   23   24   25
 DE= -8.48D-05 DEPred=-6.23D-05 R= 1.36D+00
 SS=  1.41D+00  RLast= 2.34D-01 DXNew= 7.4242D-01 7.0195D-01
 Trust test= 1.36D+00 RLast= 2.34D-01 DXMaxT set to 7.02D-01
     Eigenvalues ---    0.00020   0.00182   0.00228   0.00233   0.00241
     Eigenvalues ---    0.00263   0.00322   0.00335   0.00398   0.00405
     Eigenvalues ---    0.00465   0.00483   0.00508   0.00535   0.00561
     Eigenvalues ---    0.00653   0.00697   0.00902   0.00913   0.01232
     Eigenvalues ---    0.01342   0.01380   0.01395   0.01423   0.01443
     Eigenvalues ---    0.01488   0.01518   0.01527   0.01608   0.01700
     Eigenvalues ---    0.02008   0.02013   0.02083   0.02115   0.02126
     Eigenvalues ---    0.02142   0.02150   0.02151   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02181   0.02185   0.02187
     Eigenvalues ---    0.02188   0.02190   0.02283   0.02320   0.02383
     Eigenvalues ---    0.02549   0.02820   0.03040   0.03201   0.03557
     Eigenvalues ---    0.03711   0.03797   0.03951   0.04018   0.04173
     Eigenvalues ---    0.04288   0.04383   0.04470   0.04683   0.04710
     Eigenvalues ---    0.04803   0.04947   0.05022   0.05071   0.05107
     Eigenvalues ---    0.05321   0.05399   0.05441   0.05488   0.05538
     Eigenvalues ---    0.05591   0.05615   0.05624   0.05662   0.05932
     Eigenvalues ---    0.05994   0.06359   0.06775   0.06843   0.07118
     Eigenvalues ---    0.07122   0.07222   0.07369   0.07411   0.07530
     Eigenvalues ---    0.07823   0.08040   0.08315   0.08633   0.09176
     Eigenvalues ---    0.09341   0.09448   0.09766   0.11017   0.11584
     Eigenvalues ---    0.12165   0.12548   0.12868   0.12990   0.14067
     Eigenvalues ---    0.15009   0.15483   0.15876   0.15930   0.15970
     Eigenvalues ---    0.15991   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16001
     Eigenvalues ---    0.16002   0.16003   0.16006   0.16013   0.16029
     Eigenvalues ---    0.16054   0.16177   0.16192   0.16329   0.16573
     Eigenvalues ---    0.16801   0.17343   0.17749   0.18997   0.19245
     Eigenvalues ---    0.19922   0.20259   0.20763   0.21061   0.21871
     Eigenvalues ---    0.21984   0.22000   0.22000   0.22002   0.22058
     Eigenvalues ---    0.22153   0.22468   0.22538   0.23121   0.23388
     Eigenvalues ---    0.23422   0.23494   0.23645   0.24062   0.24625
     Eigenvalues ---    0.24677   0.24750   0.24952   0.24986   0.25015
     Eigenvalues ---    0.25165   0.25548   0.25752   0.26462   0.26771
     Eigenvalues ---    0.26927   0.27417   0.27590   0.27884   0.28280
     Eigenvalues ---    0.28569   0.28881   0.29060   0.29760   0.29942
     Eigenvalues ---    0.30225   0.30428   0.31087   0.32189   0.32387
     Eigenvalues ---    0.33083   0.33554   0.34137   0.34456   0.34483
     Eigenvalues ---    0.34506   0.34599   0.34631   0.34652   0.34680
     Eigenvalues ---    0.34698   0.34709   0.34718   0.34739   0.34741
     Eigenvalues ---    0.34747   0.34752   0.34761   0.34768   0.34779
     Eigenvalues ---    0.34790   0.34799   0.34801   0.34814   0.34825
     Eigenvalues ---    0.34830   0.34845   0.34861   0.34870   0.34903
     Eigenvalues ---    0.34975   0.35208   0.35450   0.35856   0.35887
     Eigenvalues ---    0.35918   0.35936   0.35947   0.35968   0.35984
     Eigenvalues ---    0.35993   0.36001   0.36004   0.36026   0.36033
     Eigenvalues ---    0.36063   0.36400   0.37231   0.39083   0.40328
     Eigenvalues ---    0.40517   0.40922   0.42241   0.42278   0.42354
     Eigenvalues ---    0.42629   0.42692   0.43844   0.44546   0.45096
     Eigenvalues ---    0.45745   0.46035   0.46085   0.46132   0.46148
     Eigenvalues ---    0.46257   0.46340   0.46510   0.46680   0.46764
     Eigenvalues ---    0.46824   0.46935   0.47274   0.48025   0.49056
     Eigenvalues ---    0.51114   0.52729   0.54701   0.56440   0.58238
     Eigenvalues ---    0.59956   0.79752   0.90180   0.90578   0.94220
     Eigenvalues ---    1.153521000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    25   24   23   22   21
 RFO step:  Lambda=-4.45759758D-05.
 DIIS coeffs:      2.12534      0.11600     -0.52360     -0.58498     -0.13276
 Maximum step size (   0.702) exceeded in Quadratic search.
    -- Step size scaled by   0.737
 Iteration  1 RMS(Cart)=  0.13395301 RMS(Int)=  0.00752282
 Iteration  2 RMS(Cart)=  0.01147203 RMS(Int)=  0.00073079
 Iteration  3 RMS(Cart)=  0.00029127 RMS(Int)=  0.00067621
 Iteration  4 RMS(Cart)=  0.00000034 RMS(Int)=  0.00067621
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68797  -0.00005  -0.00049  -0.00065  -0.00114   2.68682
    R2        1.82874  -0.00028   0.00017  -0.00043  -0.00026   1.82848
    R3        2.36429  -0.00047   0.00098  -0.00004   0.00093   2.36523
    R4        2.38272   0.00024   0.00027   0.00040   0.00067   2.38339
    R5        2.36112   0.00002  -0.00042  -0.00037  -0.00079   2.36033
    R6        2.70503  -0.00026   0.00025   0.00015   0.00040   2.70544
    R7        2.63245  -0.00027   0.00008  -0.00020  -0.00012   2.63233
    R8        2.74311  -0.00077   0.00097  -0.00060   0.00037   2.74348
    R9        2.74145  -0.00034   0.00021  -0.00201  -0.00266   2.73879
   R10        2.68040  -0.00203   0.00290  -0.00227   0.00057   2.68097
   R11        2.73225  -0.00012  -0.00088  -0.00070  -0.00158   2.73067
   R12        2.58722   0.00032  -0.00079   0.00015  -0.00064   2.58659
   R13        1.89258  -0.00061   0.00162   0.00059   0.00221   1.89480
   R14        2.72973  -0.00010  -0.00045  -0.00001  -0.00046   2.72928
   R15        2.59612   0.00014  -0.00061  -0.00041  -0.00103   2.59510
   R16        1.88185   0.00017  -0.00014  -0.00004  -0.00018   1.88167
   R17        2.63022   0.00093   0.00339   0.00440   0.00864   2.63886
   R18        2.71504  -0.00009   0.00260   0.00313   0.00663   2.72167
   R19        1.87578   0.00032   0.00175   0.00228   0.00403   1.87981
   R20        2.90822  -0.00046  -0.00016  -0.00026  -0.00043   2.90779
   R21        2.91794   0.00057   0.00103   0.00075   0.00178   2.91972
   R22        2.14597   0.00003  -0.00021  -0.00052  -0.00072   2.14524
   R23        2.91699   0.00036  -0.00091  -0.00162  -0.00253   2.91446
   R24        2.94210  -0.00042   0.00146   0.00153   0.00299   2.94509
   R25        2.14539  -0.00003   0.00049   0.00020   0.00069   2.14608
   R26        2.87878  -0.00053  -0.00011  -0.00096  -0.00107   2.87771
   R27        2.12502   0.00017  -0.00035  -0.00005  -0.00040   2.12462
   R28        2.11921   0.00019   0.00039   0.00022   0.00061   2.11982
   R29        2.94876  -0.00009   0.00133  -0.00042   0.00090   2.94966
   R30        2.13372  -0.00001   0.00081   0.00019   0.00101   2.13473
   R31        2.86710  -0.00008  -0.00023  -0.00005  -0.00029   2.86681
   R32        2.86027   0.00026  -0.00033   0.00085   0.00052   2.86079
   R33        2.12820   0.00007  -0.00018  -0.00032  -0.00050   2.12770
   R34        2.91073  -0.00026   0.00092   0.00004   0.00096   2.91169
   R35        2.13923   0.00010  -0.00021  -0.00011  -0.00032   2.13892
   R36        2.81170   0.00035  -0.00038   0.00061   0.00023   2.81193
   R37        2.12113   0.00023  -0.00027  -0.00005  -0.00031   2.12081
   R38        2.12088   0.00016  -0.00077  -0.00032  -0.00109   2.11979
   R39        2.88314   0.00016  -0.00006   0.00068  -0.00004   2.88311
   R40        2.13329   0.00004  -0.00005  -0.00018  -0.00023   2.13306
   R41        2.13464   0.00036  -0.00079  -0.00018  -0.00097   2.13367
   R42        2.88491  -0.00020  -0.00041  -0.00068  -0.00119   2.88372
   R43        2.11474   0.00008   0.00005   0.00010   0.00016   2.11490
   R44        2.12298   0.00019   0.00009   0.00022   0.00031   2.12329
   R45        2.80902  -0.00011  -0.00029   0.00021  -0.00008   2.80894
   R46        2.12223   0.00005   0.00004  -0.00005  -0.00001   2.12222
   R47        2.12291   0.00011  -0.00015  -0.00014  -0.00029   2.12262
   R48        2.10977   0.00009   0.00001  -0.00004  -0.00003   2.10974
   R49        2.11015   0.00010   0.00005   0.00003   0.00008   2.11024
   R50        2.11094   0.00009  -0.00011  -0.00012  -0.00023   2.11071
   R51        2.11014   0.00006   0.00010   0.00002   0.00012   2.11026
   R52        2.10915   0.00005   0.00014  -0.00003   0.00011   2.10926
   R53        2.11164   0.00001   0.00004  -0.00017  -0.00013   2.11152
   R54        2.12913   0.00014  -0.00022   0.00010  -0.00012   2.12900
   R55        2.13419   0.00007  -0.00028  -0.00031  -0.00059   2.13359
   R56        2.64607   0.00006  -0.00025  -0.00007  -0.00032   2.64575
   R57        2.64620   0.00041   0.00043   0.00067   0.00109   2.64730
   R58        2.64689  -0.00001   0.00006   0.00012   0.00018   2.64708
   R59        2.64477   0.00000  -0.00017  -0.00004  -0.00021   2.64456
   R60        2.88781  -0.00006   0.00007   0.00055   0.00062   2.88843
   R61        2.63310   0.00012  -0.00009   0.00016   0.00007   2.63317
   R62        2.07876   0.00007  -0.00013  -0.00009  -0.00021   2.07854
   R63        2.63534  -0.00009   0.00000  -0.00019  -0.00018   2.63515
   R64        2.08414   0.00015   0.00047   0.00050   0.00097   2.08511
   R65        2.63292  -0.00001   0.00002   0.00000   0.00001   2.63293
   R66        2.07888   0.00006  -0.00005  -0.00004  -0.00009   2.07879
   R67        2.63468   0.00003  -0.00002   0.00005   0.00003   2.63471
   R68        2.07918   0.00009  -0.00008  -0.00002  -0.00010   2.07908
   R69        2.12270   0.00027  -0.00025  -0.00008  -0.00033   2.12238
   R70        2.11754  -0.00012   0.00003  -0.00038  -0.00034   2.11719
   R71        2.63616  -0.00015   0.00001  -0.00024  -0.00023   2.63592
   R72        2.07814   0.00006  -0.00003  -0.00003  -0.00006   2.07808
   R73        2.63509   0.00003  -0.00016   0.00005  -0.00011   2.63498
   R74        2.07880   0.00008  -0.00011  -0.00005  -0.00015   2.07865
   R75        2.07775   0.00007   0.00003   0.00005   0.00008   2.07783
   R76        2.63635   0.00001  -0.00003   0.00005   0.00003   2.63638
   R77        2.07827   0.00006  -0.00004  -0.00003  -0.00007   2.07819
   R78        2.63491  -0.00003   0.00002   0.00000   0.00002   2.63493
   R79        2.07810   0.00005  -0.00002  -0.00004  -0.00006   2.07804
   R80        2.07751   0.00006   0.00001   0.00000   0.00000   2.07751
   R81        2.66238  -0.00050   0.00118   0.00038   0.00155   2.66393
   R82        2.65724   0.00005  -0.00041  -0.00028  -0.00069   2.65655
   R83        2.64194   0.00015  -0.00056  -0.00030  -0.00086   2.64108
   R84        2.79788  -0.00015   0.00021   0.00070   0.00091   2.79879
   R85        2.64519  -0.00017   0.00105   0.00040   0.00145   2.64664
   R86        2.79858  -0.00022   0.00039   0.00033   0.00072   2.79931
   R87        2.63282  -0.00005   0.00057   0.00028   0.00085   2.63366
   R88        2.07977   0.00002   0.00016  -0.00001   0.00015   2.07993
   R89        2.63071   0.00019  -0.00072  -0.00068  -0.00140   2.62931
   R90        2.07970   0.00003  -0.00001  -0.00011  -0.00012   2.07958
   R91        2.11164   0.00017   0.00016   0.00031   0.00047   2.11211
   R92        2.11731   0.00000   0.00000  -0.00017  -0.00016   2.11714
   R93        2.11447   0.00007  -0.00030  -0.00022  -0.00053   2.11395
   R94        2.11226   0.00003   0.00030   0.00008   0.00039   2.11265
   R95        2.11429   0.00010  -0.00011  -0.00006  -0.00017   2.11412
   R96        2.11518   0.00011  -0.00025  -0.00014  -0.00040   2.11478
   R97        2.07877   0.00005  -0.00019  -0.00018  -0.00037   2.07839
    A1        1.89689  -0.00024   0.00562   0.00267   0.00828   1.90517
    A2        1.99535  -0.00009   0.00133   0.00029   0.00161   1.99696
    A3        2.05356   0.00036   0.00130   0.00434   0.00553   2.05909
    A4        2.03629  -0.00072  -0.00061   0.00254   0.00206   2.03835
    A5        2.08204   0.00044  -0.00426  -0.00006  -0.00459   2.07745
    A6        2.17818  -0.00079   0.00450   0.00033   0.00481   2.18299
    A7        2.03326   0.00074  -0.00228   0.00064  -0.00165   2.03160
    A8        2.06310   0.00006  -0.00142  -0.00077  -0.00221   2.06089
    A9        2.13574  -0.00006   0.00162   0.00221   0.00382   2.13956
   A10        2.03157   0.00007  -0.00210  -0.00131  -0.00342   2.02815
   A11        2.06866   0.00001  -0.00008   0.00009   0.00001   2.06867
   A12        2.11945  -0.00029  -0.00575  -0.00576  -0.01667   2.10278
   A13        2.02833   0.00016  -0.01135  -0.01161  -0.03285   1.99548
   A14        2.07802   0.00008  -0.01074  -0.01140  -0.03182   2.04621
   A15        2.00427  -0.00091   0.00209  -0.00042   0.00166   2.00593
   A16        1.94034   0.00119  -0.00261   0.00214  -0.00047   1.93987
   A17        1.87719  -0.00005   0.00050   0.00019   0.00068   1.87787
   A18        1.90995  -0.00024   0.00009  -0.00061  -0.00052   1.90943
   A19        1.85155   0.00020   0.00155  -0.00059   0.00096   1.85251
   A20        1.87375  -0.00019  -0.00165  -0.00088  -0.00253   1.87122
   A21        1.99389   0.00065  -0.00130  -0.00036  -0.00166   1.99223
   A22        1.92815  -0.00089   0.00174  -0.00178  -0.00004   1.92811
   A23        1.86718  -0.00004   0.00059   0.00148   0.00206   1.86924
   A24        1.90397   0.00039  -0.00065   0.00230   0.00165   1.90562
   A25        1.86561  -0.00010  -0.00103  -0.00066  -0.00169   1.86392
   A26        1.90199   0.00000   0.00068  -0.00103  -0.00035   1.90164
   A27        1.99767  -0.00001  -0.00009   0.00077   0.00067   1.99835
   A28        1.89204  -0.00008   0.00071  -0.00064   0.00005   1.89209
   A29        1.86965   0.00003   0.00002   0.00034   0.00035   1.87000
   A30        1.90948  -0.00003   0.00269   0.00172   0.00440   1.91388
   A31        1.91539   0.00002  -0.00246  -0.00244  -0.00490   1.91049
   A32        1.87555   0.00007  -0.00095   0.00021  -0.00073   1.87481
   A33        1.97838  -0.00008   0.00741   0.00494   0.01230   1.99068
   A34        1.86987   0.00029   0.00487   0.00421   0.00900   1.87887
   A35        1.86143  -0.00012  -0.01005  -0.00842  -0.01842   1.84302
   A36        1.94050  -0.00031  -0.00136  -0.00140  -0.00288   1.93762
   A37        1.91625   0.00016  -0.00104   0.00008  -0.00091   1.91534
   A38        1.89383   0.00009  -0.00026   0.00026   0.00003   1.89386
   A39        1.90210   0.00005   0.00032   0.00176   0.00207   1.90417
   A40        1.94381   0.00008  -0.00068  -0.00155  -0.00222   1.94159
   A41        1.89514   0.00000   0.00063   0.00114   0.00177   1.89690
   A42        1.91611  -0.00013   0.00045  -0.00110  -0.00065   1.91546
   A43        1.89390  -0.00001  -0.00018   0.00013  -0.00006   1.89385
   A44        1.91198   0.00001  -0.00053  -0.00030  -0.00083   1.91115
   A45        1.95162   0.00017  -0.00180  -0.00199  -0.00379   1.94783
   A46        1.95319  -0.00006  -0.00005  -0.00089  -0.00094   1.95224
   A47        1.87981  -0.00006  -0.00015   0.00082   0.00067   1.88048
   A48        1.90394  -0.00016   0.00023  -0.00022   0.00000   1.90394
   A49        1.87345   0.00003   0.00265   0.00274   0.00539   1.87884
   A50        1.89935   0.00009  -0.00075  -0.00024  -0.00099   1.89836
   A51        1.95459   0.00139  -0.00254   0.00217  -0.00037   1.95422
   A52        1.91830  -0.00002  -0.00032   0.00101   0.00069   1.91900
   A53        1.88102  -0.00080   0.00247  -0.00191   0.00056   1.88158
   A54        1.92099  -0.00056   0.00024  -0.00053  -0.00029   1.92070
   A55        1.91382  -0.00030   0.00056  -0.00059  -0.00003   1.91379
   A56        1.87292   0.00023  -0.00028  -0.00028  -0.00056   1.87236
   A57        2.14311   0.00021   0.00128   0.00046   0.00173   2.14483
   A58        2.12056   0.00044  -0.00172   0.00025  -0.00149   2.11907
   A59        2.01751  -0.00065   0.00068  -0.00048   0.00019   2.01770
   A60        2.00344  -0.00026  -0.00119  -0.00282  -0.00488   1.99857
   A61        1.86543   0.00025   0.00017   0.00340   0.00363   1.86906
   A62        1.90868  -0.00001   0.00074  -0.00108   0.00012   1.90881
   A63        1.90355   0.00000  -0.00040   0.00022   0.00023   1.90378
   A64        1.89300   0.00011  -0.00068   0.00015  -0.00047   1.89253
   A65        1.88663  -0.00008   0.00155   0.00031   0.00176   1.88838
   A66        1.93332   0.00008  -0.00085   0.00020  -0.00065   1.93266
   A67        1.90048   0.00000  -0.00019  -0.00038  -0.00077   1.89971
   A68        1.91810  -0.00016   0.00069  -0.00080   0.00009   1.91819
   A69        1.90558  -0.00005   0.00042   0.00022   0.00085   1.90643
   A70        1.92336   0.00005   0.00060   0.00051   0.00091   1.92427
   A71        1.88208   0.00008  -0.00068   0.00025  -0.00044   1.88164
   A72        1.97166  -0.00030   0.00071  -0.00044   0.00026   1.97192
   A73        1.90304   0.00013  -0.00058   0.00006  -0.00052   1.90252
   A74        1.87501   0.00009  -0.00006   0.00068   0.00061   1.87562
   A75        1.93133   0.00006  -0.00128  -0.00093  -0.00220   1.92913
   A76        1.90519   0.00015  -0.00032   0.00067   0.00035   1.90554
   A77        1.87432  -0.00012   0.00163   0.00003   0.00166   1.87598
   A78        2.11385  -0.00042   0.00081   0.00003   0.00008   2.11393
   A79        2.08160   0.00025  -0.00055   0.00018  -0.00114   2.08046
   A80        2.08562   0.00016  -0.00078  -0.00070  -0.00016   2.08546
   A81        1.93408  -0.00001  -0.00015  -0.00041  -0.00055   1.93353
   A82        1.91451  -0.00004  -0.00016  -0.00062  -0.00078   1.91373
   A83        1.92928  -0.00004  -0.00003   0.00094   0.00091   1.93020
   A84        1.89236   0.00004   0.00022   0.00021   0.00043   1.89279
   A85        1.90123   0.00002   0.00022   0.00011   0.00033   1.90156
   A86        1.89146   0.00004  -0.00009  -0.00025  -0.00034   1.89112
   A87        1.93130  -0.00005   0.00044   0.00017   0.00060   1.93191
   A88        1.94069   0.00007  -0.00069   0.00015  -0.00054   1.94015
   A89        1.91667  -0.00008   0.00059   0.00012   0.00072   1.91738
   A90        1.89237   0.00002  -0.00043  -0.00026  -0.00069   1.89167
   A91        1.89358   0.00003   0.00009  -0.00024  -0.00015   1.89342
   A92        1.88802   0.00002   0.00000   0.00004   0.00004   1.88806
   A93        1.96827  -0.00015   0.00437   0.00434   0.01022   1.97849
   A94        1.90815   0.00005   0.00254   0.00184   0.00369   1.91184
   A95        1.89089   0.00000  -0.00663  -0.00569  -0.01257   1.87832
   A96        1.91026   0.00003  -0.00056  -0.00101  -0.00207   1.90819
   A97        1.90318   0.00008  -0.00014   0.00017  -0.00031   1.90287
   A98        1.88103  -0.00001   0.00022   0.00013   0.00055   1.88157
   A99        2.09570  -0.00039   0.00034  -0.00057  -0.00023   2.09548
   A100       2.10393   0.00069  -0.00112   0.00063  -0.00049   2.10344
   A101       2.08352  -0.00029   0.00077  -0.00009   0.00068   2.08420
   A102       2.09907   0.00010  -0.00061  -0.00020  -0.00081   2.09826
   A103       2.10306  -0.00009   0.00040   0.00012   0.00052   2.10358
   A104       2.08094  -0.00001   0.00022   0.00009   0.00031   2.08125
   A105       2.13855   0.00011   0.00134   0.00098   0.00232   2.14087
   A106       2.06354   0.00020   0.00073   0.00038   0.00110   2.06464
   A107       2.07935  -0.00031  -0.00211  -0.00128  -0.00340   2.07595
   A108       2.09987   0.00016  -0.00052   0.00014  -0.00038   2.09949
   A109       2.08957  -0.00002  -0.00019  -0.00008  -0.00027   2.08930
   A110       2.09375  -0.00014   0.00071  -0.00006   0.00065   2.09440
   A111       2.09705   0.00006  -0.00056  -0.00024  -0.00080   2.09625
   A112       2.09861   0.00027  -0.00062   0.00051  -0.00012   2.09849
   A113       2.08750  -0.00033   0.00118  -0.00027   0.00090   2.08840
   A114       2.10054   0.00000  -0.00016  -0.00010  -0.00026   2.10029
   A115       2.08823   0.00002  -0.00012   0.00006  -0.00006   2.08817
   A116       2.09439  -0.00002   0.00028   0.00004   0.00032   2.09471
   A117       2.10014   0.00000  -0.00007   0.00000  -0.00008   2.10006
   A118       2.09099   0.00001  -0.00007   0.00008   0.00001   2.09099
   A119       2.09206  -0.00001   0.00014  -0.00008   0.00007   2.09212
   A120       1.93797  -0.00072  -0.00093  -0.00002  -0.00095   1.93701
   A121       1.87197   0.00012   0.00048  -0.00026   0.00022   1.87218
   A122       1.95579   0.00025  -0.00047  -0.00032  -0.00080   1.95500
   A123       1.88226   0.00041  -0.00084  -0.00023  -0.00107   1.88119
   A124       1.89214   0.00005   0.00048   0.00034   0.00082   1.89295
   A125       1.92250  -0.00011   0.00128   0.00050   0.00178   1.92428
   A126       2.09606   0.00002   0.00002  -0.00008  -0.00006   2.09601
   A127       2.09231  -0.00001   0.00018   0.00019   0.00037   2.09269
   A128       2.09481  -0.00001  -0.00020  -0.00011  -0.00032   2.09449
   A129       2.09811   0.00010  -0.00009   0.00022   0.00014   2.09824
   A130       2.08878  -0.00006  -0.00005  -0.00023  -0.00028   2.08850
   A131       2.09629  -0.00004   0.00014   0.00001   0.00014   2.09644
   A132       2.09176  -0.00005   0.00038   0.00004   0.00042   2.09218
   A133       2.09537   0.00003  -0.00033  -0.00015  -0.00048   2.09488
   A134       2.09606   0.00003  -0.00004   0.00011   0.00006   2.09612
   A135       2.09661   0.00002  -0.00003  -0.00001  -0.00004   2.09657
   A136       2.09204   0.00000   0.00001   0.00002   0.00003   2.09207
   A137       2.09454  -0.00001   0.00002  -0.00002   0.00001   2.09454
   A138       2.09703   0.00000  -0.00006  -0.00008  -0.00014   2.09689
   A139       2.09184  -0.00001   0.00007   0.00002   0.00010   2.09194
   A140       2.09431   0.00001  -0.00001   0.00005   0.00004   2.09436
   A141       2.09111  -0.00001   0.00012   0.00009   0.00021   2.09132
   A142       2.09580   0.00000  -0.00001  -0.00005  -0.00005   2.09574
   A143       2.09628   0.00001  -0.00011  -0.00005  -0.00015   2.09613
   A144       2.04592  -0.00032  -0.00108   0.00023  -0.00085   2.04507
   A145       2.11597   0.00004   0.00237   0.00052   0.00290   2.11886
   A146       2.11740   0.00027  -0.00114  -0.00063  -0.00178   2.11562
   A147       2.06870  -0.00003   0.00044   0.00014   0.00057   2.06927
   A148       2.11402  -0.00032   0.00174   0.00156   0.00330   2.11733
   A149       2.10044   0.00035  -0.00217  -0.00170  -0.00386   2.09658
   A150       2.06896  -0.00015   0.00056   0.00042   0.00097   2.06994
   A151       2.12213  -0.00028   0.00258   0.00113   0.00371   2.12584
   A152       2.09205   0.00043  -0.00316  -0.00156  -0.00471   2.08734
   A153       2.10647  -0.00014   0.00047   0.00029   0.00076   2.10723
   A154       2.08398   0.00008   0.00036   0.00053   0.00089   2.08487
   A155       2.09273   0.00005  -0.00083  -0.00082  -0.00165   2.09108
   A156       2.10631  -0.00004   0.00024   0.00004   0.00028   2.10658
   A157       2.08371   0.00002  -0.00091  -0.00066  -0.00157   2.08214
   A158       2.09315   0.00002   0.00067   0.00063   0.00130   2.09445
   A159       1.93869   0.00001  -0.00084  -0.00049  -0.00134   1.93735
   A160       1.92044   0.00006  -0.00114  -0.00038  -0.00152   1.91891
   A161       1.92820  -0.00010   0.00201   0.00130   0.00332   1.93152
   A162       1.88973   0.00000  -0.00029  -0.00042  -0.00071   1.88903
   A163       1.89296   0.00006  -0.00113  -0.00120  -0.00233   1.89063
   A164       1.89268  -0.00003   0.00140   0.00118   0.00258   1.89526
   A165       1.93727   0.00000  -0.00063  -0.00025  -0.00088   1.93639
   A166       1.92690  -0.00007   0.00027  -0.00001   0.00026   1.92716
   A167       1.92539  -0.00004   0.00098   0.00052   0.00150   1.92689
   A168       1.89273   0.00008  -0.00107  -0.00042  -0.00149   1.89124
   A169       1.88887   0.00005  -0.00049  -0.00017  -0.00066   1.88821
   A170       1.89145  -0.00001   0.00094   0.00033   0.00126   1.89271
   A171       2.09826   0.00008  -0.00066  -0.00033  -0.00099   2.09726
   A172       2.09237  -0.00007  -0.00040  -0.00061  -0.00102   2.09135
   A173       2.09255  -0.00001   0.00106   0.00094   0.00201   2.09455
    D1       -0.23765   0.00016   0.14937   0.13670   0.28618   0.04853
    D2       -2.38481   0.00040   0.14294   0.13227   0.27511  -2.10971
    D3        1.87314   0.00022   0.14577   0.13405   0.27981   2.15295
    D4        2.39679  -0.00029  -0.00206  -0.00417  -0.00623   2.39056
    D5       -1.83391  -0.00012  -0.00330  -0.00462  -0.00791  -1.84182
    D6        0.27800  -0.00002  -0.00168  -0.00437  -0.00605   0.27196
    D7       -2.12769   0.00027  -0.01962  -0.00737  -0.02699  -2.15468
    D8        1.10747   0.00026  -0.02137  -0.00878  -0.03015   1.07732
    D9        0.93541  -0.00016   0.00898  -0.00262   0.00635   0.94177
   D10       -1.21893  -0.00045   0.00944  -0.00400   0.00544  -1.21349
   D11        2.99628   0.00007   0.00733  -0.00266   0.00467   3.00095
   D12       -2.69807   0.00012  -0.00010   0.01131   0.01120  -2.68686
   D13        1.43078  -0.00017   0.00036   0.00993   0.01029   1.44107
   D14       -0.63720   0.00034  -0.00175   0.01127   0.00952  -0.62768
   D15        2.47706  -0.00003  -0.00947   0.00928  -0.00038   2.47668
   D16       -1.69297  -0.00002  -0.01061   0.01024  -0.00056  -1.69354
   D17        0.34534   0.00001  -0.00830   0.01190   0.00356   0.34891
   D18       -0.15941   0.00002  -0.00123  -0.00582  -0.00734  -0.16676
   D19        1.95374   0.00003  -0.00237  -0.00487  -0.00753   1.94621
   D20       -2.29113   0.00006  -0.00007  -0.00320  -0.00340  -2.29453
   D21        0.17757  -0.00024  -0.00850  -0.02264  -0.03122   0.14635
   D22       -3.03445  -0.00028  -0.01807  -0.03076  -0.04918  -3.08363
   D23        2.81892   0.00002  -0.01613  -0.00716  -0.02333   2.79559
   D24       -0.39310  -0.00003  -0.02570  -0.01529  -0.04129  -0.43439
   D25       -0.96018  -0.00003   0.02341   0.00196   0.02536  -0.93482
   D26       -3.14042   0.00003   0.02381   0.00134   0.02514  -3.11527
   D27        1.09612  -0.00037   0.02695   0.00110   0.02805   1.12416
   D28        2.32542  -0.00006   0.01711   0.00035   0.01746   2.34289
   D29        0.14519   0.00000   0.01751  -0.00027   0.01724   0.16243
   D30       -1.90146  -0.00040   0.02065  -0.00051   0.02015  -1.88132
   D31        0.17857  -0.00015  -0.00165  -0.00339  -0.00505   0.17352
   D32       -3.03031  -0.00016   0.00209   0.00035   0.00245  -3.02786
   D33       -3.10929  -0.00007   0.00468  -0.00165   0.00303  -3.10626
   D34       -0.03499  -0.00008   0.00843   0.00209   0.01052  -0.02446
   D35       -1.71520  -0.00006  -0.02833  -0.02142  -0.04975  -1.76495
   D36        2.42593   0.00008  -0.02728  -0.01901  -0.04628   2.37965
   D37        0.33905   0.00004  -0.02622  -0.01871  -0.04493   0.29412
   D38        1.09590  -0.00001  -0.03034  -0.01809  -0.04843   1.04746
   D39       -1.04616   0.00013  -0.02929  -0.01568  -0.04497  -1.09113
   D40       -3.13305   0.00009  -0.02823  -0.01538  -0.04361   3.10653
   D41       -0.13232   0.00008   0.00450   0.00789   0.01239  -0.11993
   D42        3.07382   0.00003   0.00536   0.00657   0.01192   3.08574
   D43       -2.93673   0.00002   0.00690   0.00474   0.01164  -2.92509
   D44        0.26942  -0.00003   0.00776   0.00341   0.01117   0.28058
   D45       -2.91174  -0.00001   0.03570   0.02716   0.06189  -2.84986
   D46        0.29896   0.00007   0.04504   0.03515   0.07945   0.37842
   D47       -0.13114  -0.00013  -0.07240  -0.06229  -0.13377  -0.26491
   D48        3.07957  -0.00006  -0.06306  -0.05431  -0.11621   2.96336
   D49        0.33645  -0.00006  -0.03382  -0.03080  -0.06362   0.27283
   D50        2.46580  -0.00008  -0.02981  -0.02784  -0.05661   2.40919
   D51       -1.77185  -0.00006  -0.03189  -0.02988  -0.06102  -1.83287
   D52       -2.43418   0.00006   0.07732   0.06112   0.13758  -2.29660
   D53       -0.30483   0.00003   0.08132   0.06408   0.14460  -0.16023
   D54        1.74070   0.00005   0.07925   0.06204   0.14019   1.88089
   D55       -0.90528  -0.00034  -0.00690  -0.00542  -0.01232  -0.91760
   D56        1.23125  -0.00044  -0.00296  -0.00316  -0.00612   1.22513
   D57       -3.03286  -0.00038  -0.00371  -0.00306  -0.00677  -3.03963
   D58        1.29079   0.00035  -0.00873  -0.00338  -0.01211   1.27868
   D59       -2.85587   0.00025  -0.00479  -0.00111  -0.00590  -2.86177
   D60       -0.83678   0.00031  -0.00554  -0.00101  -0.00655  -0.84334
   D61       -2.97602   0.00012  -0.00979  -0.00502  -0.01481  -2.99082
   D62       -0.83949   0.00002  -0.00585  -0.00275  -0.00860  -0.84809
   D63        1.17959   0.00008  -0.00660  -0.00265  -0.00925   1.17034
   D64       -1.07569  -0.00042  -0.01739  -0.01146  -0.02885  -1.10455
   D65        1.06528  -0.00019  -0.01906  -0.00992  -0.02898   1.03630
   D66        3.10110  -0.00037  -0.01817  -0.01079  -0.02896   3.07214
   D67        2.97521   0.00007  -0.01823  -0.01204  -0.03027   2.94494
   D68       -1.16700   0.00030  -0.01990  -0.01050  -0.03041  -1.19740
   D69        0.86882   0.00011  -0.01901  -0.01138  -0.03038   0.83844
   D70        0.97305   0.00006  -0.01922  -0.01057  -0.02980   0.94326
   D71        3.11403   0.00029  -0.02089  -0.00904  -0.02993   3.08410
   D72       -1.13334   0.00011  -0.02000  -0.00991  -0.02990  -1.16324
   D73        3.02820   0.00024  -0.00247   0.00264   0.00017   3.02836
   D74        0.91172   0.00031  -0.00281   0.00383   0.00102   0.91274
   D75       -1.19502   0.00025  -0.00214   0.00442   0.00228  -1.19274
   D76       -1.08766  -0.00017  -0.00163   0.00182   0.00019  -1.08747
   D77        3.07905  -0.00009  -0.00197   0.00302   0.00104   3.08009
   D78        0.97231  -0.00015  -0.00131   0.00361   0.00231   0.97461
   D79        0.96644  -0.00002  -0.00174   0.00145  -0.00029   0.96614
   D80       -1.15005   0.00006  -0.00208   0.00264   0.00056  -1.14948
   D81        3.02640   0.00000  -0.00142   0.00324   0.00182   3.02823
   D82        1.67663   0.00049  -0.01540   0.01056  -0.00484   1.67179
   D83       -1.39862   0.00051  -0.01923   0.00687  -0.01235  -1.41097
   D84       -0.52893   0.00001  -0.01449   0.01062  -0.00387  -0.53280
   D85        2.67900   0.00003  -0.01832   0.00693  -0.01138   2.66762
   D86       -2.55994  -0.00008  -0.01328   0.01071  -0.00257  -2.56252
   D87        0.64799  -0.00006  -0.01711   0.00702  -0.01008   0.63791
   D88        1.69671  -0.00019  -0.04161  -0.04413  -0.08575   1.61096
   D89       -2.47875  -0.00010  -0.03111  -0.03619  -0.06730  -2.54605
   D90       -0.38287  -0.00009  -0.03299  -0.03671  -0.06970  -0.45257
   D91       -0.43031  -0.00005  -0.04449  -0.04513  -0.08963  -0.51994
   D92        1.67742   0.00003  -0.03399  -0.03719  -0.07118   1.60623
   D93       -2.50989   0.00004  -0.03587  -0.03771  -0.07358  -2.58347
   D94       -2.48409  -0.00014  -0.04348  -0.04496  -0.08845  -2.57254
   D95       -0.37637  -0.00005  -0.03298  -0.03703  -0.07000  -0.44637
   D96        1.71951  -0.00004  -0.03486  -0.03755  -0.07240   1.64711
   D97       -1.13516  -0.00002   0.01849   0.01565   0.03413  -1.10103
   D98        1.03469  -0.00010   0.01734   0.01297   0.03031   1.06500
   D99        3.08997  -0.00006   0.01805   0.01409   0.03214   3.12211
   D100       2.97759   0.00009   0.00685   0.00752   0.01437   2.99196
   D101      -1.13575   0.00001   0.00571   0.00484   0.01055  -1.12520
   D102       0.91953   0.00004   0.00641   0.00596   0.01238   0.93191
   D103       0.86847   0.00003   0.00915   0.00812   0.01727   0.88574
   D104       3.03832  -0.00005   0.00801   0.00544   0.01345   3.05177
   D105      -1.18958  -0.00002   0.00871   0.00656   0.01528  -1.17431
   D106      -1.07237   0.00000  -0.00673  -0.00354  -0.01027  -1.08263
   D107       3.12197  -0.00001  -0.00680  -0.00316  -0.00995   3.11201
   D108       1.03724  -0.00002  -0.00656  -0.00305  -0.00961   1.02763
   D109       1.06093   0.00004  -0.00707  -0.00502  -0.01210   1.04883
   D110      -1.02793   0.00003  -0.00715  -0.00464  -0.01178  -1.03971
   D111      -3.11266   0.00003  -0.00691  -0.00453  -0.01144  -3.12410
   D112      -3.13311  -0.00002  -0.00756  -0.00596  -0.01352   3.13656
   D113       1.06123  -0.00004  -0.00763  -0.00558  -0.01321   1.04802
   D114      -1.02351  -0.00004  -0.00740  -0.00547  -0.01286  -1.03637
   D115       0.89577   0.00002  -0.00701  -0.00313  -0.01014   0.88563
   D116      -1.20840  -0.00002  -0.00630  -0.00301  -0.00931  -1.21772
   D117       2.98576  -0.00003  -0.00625  -0.00325  -0.00949   2.97627
   D118      -1.21252  -0.00001  -0.00727  -0.00359  -0.01086  -1.22338
   D119       2.96650  -0.00004  -0.00656  -0.00347  -0.01004   2.95646
   D120       0.87748  -0.00005  -0.00651  -0.00371  -0.01021   0.86726
   D121       2.99259   0.00007  -0.00700  -0.00290  -0.00990   2.98269
   D122       0.88842   0.00004  -0.00629  -0.00278  -0.00907   0.87935
   D123      -1.20060   0.00003  -0.00624  -0.00301  -0.00925  -1.20985
   D124      -1.04413   0.00005   0.01106   0.00100   0.01205  -1.03208
   D125       1.11087   0.00002   0.00948  -0.00046   0.00902   1.11989
   D126       3.13695  -0.00001   0.01107  -0.00003   0.01104  -3.13520
   D127       3.07012   0.00000   0.01323   0.00433   0.01756   3.08768
   D128      -1.05806  -0.00004   0.01165   0.00287   0.01452  -1.04354
   D129       0.96802  -0.00007   0.01324   0.00331   0.01654   0.98456
   D130       1.03123   0.00000   0.01035   0.00131   0.01167   1.04290
   D131      -3.09695  -0.00004   0.00877  -0.00015   0.00863  -3.08832
   D132      -1.07087  -0.00007   0.01036   0.00029   0.01065  -1.06022
   D133      -1.54337   0.00035  -0.01784  -0.00077  -0.01861  -1.56199
   D134       1.60662   0.00048  -0.01748   0.00273  -0.01476   1.59186
   D135       2.60036  -0.00019  -0.01585  -0.00319  -0.01904   2.58132
   D136      -0.53283  -0.00006  -0.01549   0.00031  -0.01518  -0.54801
   D137       0.54388   0.00003  -0.01600  -0.00217  -0.01817   0.52571
   D138      -2.58931   0.00017  -0.01563   0.00133  -0.01431  -2.60362
   D139       0.75739   0.00008   0.00945   0.00813   0.01724   0.77463
   D140       2.85315   0.00007   0.00932   0.00828   0.01740   2.87055
   D141      -1.37207   0.00008   0.00879   0.00789   0.01647  -1.35560
   D142      -1.33475  -0.00007   0.01032   0.00547   0.01565  -1.31910
   D143       0.76102  -0.00008   0.01019   0.00562   0.01581   0.77683
   D144       2.81898  -0.00007   0.00966   0.00523   0.01488   2.83386
   D145       2.89758  -0.00002   0.00907   0.00489   0.01369   2.91127
   D146      -1.28984  -0.00003   0.00894   0.00504   0.01384  -1.27599
   D147       0.76812  -0.00003   0.00841   0.00465   0.01292   0.78104
   D148      -0.84028   0.00008   0.00613   0.00851   0.01425  -0.82603
   D149      -2.96844   0.00009   0.00035   0.00393   0.00402  -2.96442
   D150       1.26099   0.00004   0.00050   0.00425   0.00473   1.26572
   D151      -2.93300   0.00006   0.00663   0.00871   0.01506  -2.91794
   D152       1.22202   0.00007   0.00085   0.00414   0.00484   1.22686
   D153      -0.83173   0.00002   0.00099   0.00446   0.00555  -0.82618
   D154       1.28609  -0.00004   0.00684   0.00798   0.01454   1.30063
   D155      -0.84207  -0.00003   0.00106   0.00341   0.00432  -0.83776
   D156      -2.89582  -0.00008   0.00121   0.00373   0.00503  -2.89080
   D157      -1.22339   0.00000  -0.01876  -0.01206  -0.03082  -1.25421
   D158       1.93495  -0.00001  -0.01946  -0.01284  -0.03230   1.90264
   D159       2.92051   0.00000  -0.01757  -0.01113  -0.02870   2.89181
   D160      -0.20434  -0.00001  -0.01827  -0.01191  -0.03018  -0.23453
   D161       0.86140   0.00003  -0.01861  -0.01103  -0.02964   0.83176
   D162      -2.26345   0.00002  -0.01931  -0.01181  -0.03112  -2.29458
   D163      -3.13171   0.00005   0.00124   0.00226   0.00350  -3.12821
   D164       0.00639   0.00009   0.00050   0.00310   0.00360   0.00999
   D165       0.00158  -0.00008   0.00087  -0.00120  -0.00032   0.00126
   D166       3.13968  -0.00003   0.00013  -0.00035  -0.00022   3.13946
   D167       3.13290  -0.00008  -0.00192  -0.00309  -0.00500   3.12790
   D168      -0.01654   0.00010  -0.00472  -0.00211  -0.00682  -0.02336
   D169      -0.00035   0.00005  -0.00155   0.00039  -0.00117  -0.00152
   D170       3.13339   0.00024  -0.00435   0.00137  -0.00298   3.13041
   D171      -3.12410  -0.00002  -0.00001  -0.00081  -0.00082  -3.12492
   D172       0.02421  -0.00003   0.00041  -0.00108  -0.00066   0.02354
   D173       0.00096  -0.00001   0.00068  -0.00004   0.00065   0.00161
   D174      -3.13392  -0.00002   0.00110  -0.00031   0.00080  -3.13312
   D175       3.12299   0.00001   0.00058   0.00102   0.00161   3.12460
   D176      -0.01936   0.00000  -0.00043  -0.00002  -0.00045  -0.01981
   D177      -0.00203   0.00000  -0.00010   0.00025   0.00015  -0.00188
   D178       3.13880  -0.00001  -0.00111  -0.00079  -0.00190   3.13690
   D179       2.72981   0.00003  -0.02119  -0.01477  -0.03597   2.69385
   D180       0.68360   0.00004  -0.02074  -0.01431  -0.03506   0.64854
   D181      -1.39768  -0.00009  -0.02207  -0.01496  -0.03703  -1.43471
   D182      -0.47355   0.00008  -0.02199  -0.01348  -0.03547  -0.50901
   D183      -2.51976   0.00008  -0.02154  -0.01302  -0.03455  -2.55432
   D184       1.68214  -0.00005  -0.02286  -0.01367  -0.03653   1.64561
   D185      -0.00119   0.00005   0.00032   0.00119   0.00151   0.00032
   D186       3.13848   0.00005  -0.00054   0.00154   0.00099   3.13948
   D187      -3.13928   0.00000   0.00107   0.00034   0.00141  -3.13787
   D188       0.00039   0.00001   0.00021   0.00069   0.00090   0.00129
   D189      -0.00128   0.00001   0.00104   0.00043   0.00147   0.00020
   D190       3.13715   0.00008   0.00070   0.00168   0.00238   3.13953
   D191      -3.13507  -0.00018   0.00383  -0.00055   0.00328  -3.13179
   D192       0.00335  -0.00011   0.00349   0.00070   0.00419   0.00754
   D193       0.00095   0.00001  -0.00059  -0.00013  -0.00073   0.00022
   D194      -3.13908   0.00001  -0.00054  -0.00009  -0.00063  -3.13971
   D195       3.13580   0.00002  -0.00102   0.00014  -0.00088   3.13492
   D196      -0.00423   0.00002  -0.00097   0.00018  -0.00078  -0.00501
   D197       0.00119   0.00000  -0.00057  -0.00030  -0.00088   0.00032
   D198      -3.14088   0.00000  -0.00088  -0.00062  -0.00150   3.14081
   D199      -3.13964   0.00002   0.00044   0.00074   0.00118  -3.13846
   D200       0.00147   0.00001   0.00013   0.00042   0.00056   0.00203
   D201      -0.00045   0.00001  -0.00084  -0.00036  -0.00121  -0.00166
   D202       3.14121  -0.00004  -0.00091  -0.00084  -0.00175   3.13946
   D203      -3.14012   0.00001   0.00002  -0.00071  -0.00069  -3.14081
   D204       0.00154  -0.00004  -0.00005  -0.00119  -0.00124   0.00030
   D205       0.00168  -0.00004   0.00016  -0.00045  -0.00028   0.00140
   D206      -3.13998   0.00001   0.00023   0.00003   0.00026  -3.13971
   D207      -3.13673  -0.00011   0.00050  -0.00170  -0.00120  -3.13793
   D208       0.00480  -0.00006   0.00057  -0.00122  -0.00065   0.00415
   D209      -0.00180   0.00000  -0.00008   0.00008   0.00000  -0.00180
   D210       3.14029   0.00001   0.00006   0.00019   0.00025   3.14054
   D211       3.13823   0.00000  -0.00014   0.00004  -0.00010   3.13814
   D212      -0.00287   0.00000   0.00001   0.00014   0.00015  -0.00271
   D213       0.00073   0.00000   0.00066   0.00013   0.00080   0.00153
   D214      -3.14136  -0.00001   0.00052   0.00003   0.00055  -3.14081
   D215      -3.14038   0.00000   0.00097   0.00045   0.00142  -3.13896
   D216       0.00072  -0.00001   0.00083   0.00035   0.00118   0.00189
   D217      -3.06456   0.00004  -0.00599  -0.00409  -0.01007  -3.07464
   D218       0.06994   0.00006  -0.00513  -0.00369  -0.00881   0.06114
   D219      -0.01662   0.00004  -0.00404  -0.00262  -0.00665  -0.02327
   D220       3.11789   0.00006  -0.00318  -0.00222  -0.00539   3.11250
   D221       3.06888  -0.00006   0.00690   0.00466   0.01157   3.08044
   D222      -0.06327  -0.00006   0.00903   0.00597   0.01501  -0.04826
   D223       0.02468  -0.00004   0.00508   0.00315   0.00822   0.03290
   D224      -3.10746  -0.00004   0.00720   0.00445   0.01166  -3.09580
   D225      -0.00299  -0.00001   0.00043   0.00042   0.00086  -0.00213
   D226       3.13941   0.00001  -0.00045  -0.00008  -0.00053   3.13888
   D227      -3.13755  -0.00003  -0.00044   0.00001  -0.00042  -3.13797
   D228       0.00485   0.00000  -0.00132  -0.00049  -0.00181   0.00304
   D229      -2.84082  -0.00002   0.04061   0.02376   0.06438  -2.77645
   D230       1.35002  -0.00006   0.04226   0.02485   0.06711   1.41712
   D231      -0.73931   0.00000   0.03998   0.02280   0.06278  -0.67654
   D232       0.29355  -0.00001   0.04150   0.02418   0.06568   0.35923
   D233      -1.79879  -0.00005   0.04315   0.02526   0.06841  -1.73038
   D234       2.39506   0.00001   0.04087   0.02321   0.06408   2.45914
   D235      -0.01336   0.00002  -0.00255  -0.00149  -0.00405  -0.01741
   D236       3.13505   0.00002  -0.00262  -0.00184  -0.00447   3.13058
   D237       3.11895   0.00001  -0.00461  -0.00276  -0.00736   3.11159
   D238      -0.01583   0.00001  -0.00469  -0.00310  -0.00779  -0.02361
   D239       2.81347   0.00002  -0.00808  -0.00375  -0.01182   2.80165
   D240       0.71403  -0.00004  -0.00649  -0.00306  -0.00954   0.70449
   D241      -1.37611   0.00004  -0.00846  -0.00379  -0.01225  -1.38836
   D242      -0.31855   0.00002  -0.00594  -0.00244  -0.00838  -0.32693
   D243      -2.41799  -0.00004  -0.00435  -0.00175  -0.00610  -2.42409
   D244       1.77505   0.00005  -0.00632  -0.00248  -0.00880   1.76625
   D245       0.01409  -0.00001   0.00204   0.00119   0.00323   0.01732
   D246      -3.13299   0.00001   0.00126   0.00087   0.00214  -3.13085
   D247      -3.12832  -0.00004   0.00293   0.00170   0.00463  -3.12369
   D248       0.00779  -0.00002   0.00216   0.00138   0.00353   0.01132
   D249      -0.00572   0.00001  -0.00096  -0.00065  -0.00161  -0.00733
   D250       3.14136  -0.00001  -0.00018  -0.00032  -0.00050   3.14086
   D251       3.12902   0.00001  -0.00089  -0.00031  -0.00120   3.12783
   D252      -0.00708  -0.00001  -0.00011   0.00002  -0.00009  -0.00717
         Item               Value     Threshold  Converged?
 Maximum Force            0.002034     0.000450     NO 
 RMS     Force            0.000229     0.000300     YES
 Maximum Displacement     0.999041     0.001800     NO 
 RMS     Displacement     0.136241     0.001200     NO 
 Predicted change in Energy=-1.695699D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.113385   -0.123285   -1.202676
      2          8           0       -2.883615    0.015344   -2.489130
      3          8           0       -3.528576   -2.041036    1.479610
      4          8           0        2.223307    2.162408    2.174022
      5          8           0        3.519485   -1.073131    1.516916
      6          7           0       -3.062415   -2.716832   -0.706474
      7          7           0       -3.191924    0.392436   -0.238925
      8          7           0        2.162437    0.972269    0.204949
      9          7           0       -1.866960   -3.599865    1.218170
     10          6           0       -2.711499    1.754345   -0.189456
     11          6           0       -4.016578   -1.739526   -1.198539
     12          6           0       -1.353783    1.988492   -0.874653
     13          6           0       -0.244339    1.052535   -0.414115
     14          6           0       -4.705963   -2.140096   -2.518717
     15          6           0        1.137170    1.779050   -0.414608
     16          6           0       -2.647959    2.270470    1.265449
     17          6           0       -3.331121   -0.351610   -1.379333
     18          6           0       -2.009172   -3.149874   -1.602933
     19          6           0       -0.655873   -3.365179   -0.932180
     20          6           0        1.504592    2.161929   -1.861145
     21          6           0       -2.824986   -2.730671    0.692158
     22          6           0       -5.786247   -1.125383   -2.842431
     23          6           0       -5.315212   -3.522572   -2.421938
     24          6           0       -0.818708   -4.124556    0.381408
     25          6           0       -3.994206    2.321610    1.897247
     26          6           0        2.775921    2.926493   -1.954055
     27          6           0        2.593644    1.184141    1.491430
     28          6           0       -4.776141    3.477950    1.789302
     29          6           0       -4.484991    1.223746    2.615799
     30          6           0        2.834117    4.254259   -1.511547
     31          6           0        3.921730    2.336846   -2.499839
     32          6           0        3.630809    0.234153    2.089847
     33          6           0       -6.030825    3.536813    2.392550
     34          6           0       -5.741026    1.286983    3.218212
     35          6           0       -6.514612    2.441898    3.108634
     36          6           0        4.019205    4.979488   -1.615773
     37          6           0        5.106531    3.064422   -2.603526
     38          6           0        5.157258    4.386342   -2.162898
     39          6           0        4.738140   -1.667917    1.198370
     40          6           0        4.924152   -2.079345   -0.137051
     41          6           0        5.697261   -1.947821    2.187296
     42          6           0        6.102630   -2.752434   -0.470856
     43          6           0        6.871051   -2.614052    1.813302
     44          6           0        3.898629   -1.817651   -1.173074
     45          6           0        5.489290   -1.572128    3.605018
     46          6           0        7.074198   -3.009207    0.494780
     47          1           0       -3.460629    2.402817   -0.743532
     48          1           0       -4.834406   -1.647917   -0.415930
     49          1           0       -1.495052    1.889711   -1.985660
     50          1           0       -1.057321    3.050237   -0.666926
     51          1           0       -0.459787    0.692425    0.634698
     52          1           0       -3.940913   -2.123484   -3.344634
     53          1           0        1.027266    2.725762    0.195947
     54          1           0       -3.551479    0.015091    0.617640
     55          1           0       -1.962518    1.621410    1.872423
     56          1           0       -2.201376    3.299289    1.245258
     57          1           0       -2.348472   -4.120288   -2.069071
     58          1           0       -1.882154   -2.388394   -2.426860
     59          1           0       -0.000996   -3.956213   -1.620891
     60          1           0       -0.157494   -2.374827   -0.749718
     61          1           0        1.559733    1.228869   -2.483681
     62          1           0        0.666090    2.789446   -2.267107
     63          1           0       -6.570125   -1.114079   -2.047560
     64          1           0       -6.270997   -1.389734   -3.813065
     65          1           0       -5.348769   -0.101865   -2.935054
     66          1           0       -5.953227   -3.609577   -1.509587
     67          1           0       -4.524519   -4.308980   -2.374885
     68          1           0       -5.951052   -3.720797   -3.319113
     69          1           0        0.156779   -4.108554    0.944828
     70          1           0       -1.069082   -5.201986    0.155110
     71          1           0        2.341074    0.088186   -0.216927
     72          1           0       -1.647736   -3.437773    2.174832
     73          1           0       -0.746280   -0.087490   -1.933695
     74          1           0       -4.394656    4.343504    1.227960
     75          1           0       -3.884615    0.301883    2.700577
     76          1           0        1.939546    4.721671   -1.074084
     77          1           0        3.887556    1.293147   -2.846199
     78          1           0        3.413782    0.136694    3.187475
     79          1           0        4.648456    0.675925    1.933444
     80          1           0       -6.638774    4.448998    2.305363
     81          1           0       -6.120057    0.419942    3.779033
     82          1           0       -7.503976    2.490228    3.585930
     83          1           0        4.056700    6.020865   -1.264294
     84          1           0        6.002542    2.593271   -3.032961
     85          1           0        6.091667    4.959620   -2.245677
     86          1           0        6.261961   -3.082586   -1.508662
     87          1           0        7.634279   -2.829680    2.576202
     88          1           0        4.020298   -2.510918   -2.041279
     89          1           0        3.993805   -0.766219   -1.548046
     90          1           0        2.870418   -1.955294   -0.754479
     91          1           0        6.157928   -2.164098    4.277584
     92          1           0        4.428842   -1.760966    3.907307
     93          1           0        5.712998   -0.486310    3.757734
     94          1           0        8.000544   -3.531110    0.213454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0839102      0.0409246      0.0357331
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3235.0830585979 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246657939882     A.U. after   15 cycles
             Convg  =    0.5742D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000886358    0.001777382    0.000222439
      2        8           0.000333051    0.001093915   -0.000839557
      3        8          -0.000159071   -0.000841770    0.000972720
      4        8          -0.000386403   -0.000118253   -0.000282485
      5        8           0.000146020    0.000357268    0.000053134
      6        7           0.000166574    0.000880756   -0.004733249
      7        7           0.000815999    0.001816769   -0.000556440
      8        7          -0.000124742   -0.000151383    0.000565267
      9        7           0.002631522   -0.001339787   -0.000552571
     10        6           0.000440992   -0.000136553   -0.000677772
     11        6           0.001110884   -0.000035312   -0.000472900
     12        6           0.001009247    0.000430971    0.000426765
     13        6          -0.000219734   -0.000270454    0.000146445
     14        6          -0.000535369   -0.000110156    0.000634526
     15        6          -0.000454989   -0.000496921   -0.000321090
     16        6          -0.000457473    0.000236326    0.000614344
     17        6          -0.000142316   -0.001265858    0.001707771
     18        6           0.000011286    0.000401241    0.000375474
     19        6           0.000618601    0.000075939   -0.000212918
     20        6           0.000231996    0.000297387   -0.000106328
     21        6          -0.005083994   -0.000482316    0.002462163
     22        6           0.000051616   -0.000005590    0.000102847
     23        6           0.000100113    0.000309810    0.000393935
     24        6          -0.000004360   -0.000039747    0.000772318
     25        6           0.000887524    0.000234463   -0.000055245
     26        6          -0.000181581    0.000148503   -0.000238963
     27        6           0.000546405    0.000100013    0.000045886
     28        6           0.000316979    0.000132613   -0.000026126
     29        6          -0.000589789   -0.000312573    0.000245161
     30        6           0.000180384   -0.000027035    0.000126852
     31        6          -0.000012004    0.000004936   -0.000042035
     32        6           0.000180505   -0.000191785    0.000405806
     33        6           0.000004729    0.000136666   -0.000095776
     34        6           0.000297241   -0.000213314    0.000207040
     35        6          -0.000222290   -0.000001202   -0.000113395
     36        6           0.000009877    0.000069770    0.000098159
     37        6          -0.000071294    0.000028359   -0.000094714
     38        6           0.000007770    0.000016669    0.000061561
     39        6          -0.000405637   -0.000767489    0.000577165
     40        6          -0.000718914    0.000341480   -0.000391707
     41        6           0.001158259    0.000101614   -0.000550500
     42        6           0.000806574   -0.000012851    0.000121156
     43        6          -0.000588653    0.000383730   -0.000381302
     44        6           0.000194967   -0.000091190   -0.000542355
     45        6          -0.000216747   -0.000049325    0.000369847
     46        6          -0.000556128   -0.000027522    0.000486120
     47        1          -0.000200151   -0.000515473    0.000425613
     48        1           0.000452942   -0.000313239   -0.000215441
     49        1           0.000284785    0.000215082    0.000447241
     50        1          -0.000007239   -0.000009147   -0.000180147
     51        1           0.000168769   -0.000275816    0.000174450
     52        1           0.000077722   -0.000243046    0.000041280
     53        1          -0.000086194   -0.000062525   -0.000003621
     54        1           0.000036279   -0.001413274    0.000926476
     55        1           0.000227356    0.000267719   -0.000243401
     56        1          -0.000334365   -0.000485065   -0.000091307
     57        1          -0.000077144   -0.000106687    0.000151092
     58        1          -0.000546022   -0.000413310    0.000145977
     59        1           0.000054100    0.000131948    0.000089150
     60        1          -0.000174235    0.000043830   -0.000075451
     61        1          -0.000083358    0.000002038    0.000095793
     62        1          -0.000144873    0.000062114    0.000149352
     63        1          -0.000061152    0.000058658   -0.000082991
     64        1          -0.000062459    0.000035022    0.000081026
     65        1           0.000056981   -0.000121029   -0.000127747
     66        1          -0.000114305   -0.000009259   -0.000044043
     67        1           0.000047444   -0.000018500    0.000045635
     68        1          -0.000066108   -0.000065944   -0.000011882
     69        1           0.000097053    0.000007206   -0.000034654
     70        1           0.000137323    0.000031232    0.000091361
     71        1           0.000427207   -0.000272517    0.000263106
     72        1           0.000668329    0.001067695   -0.000694939
     73        1          -0.000653910   -0.000633881   -0.000796821
     74        1          -0.000184103   -0.000071514   -0.000038626
     75        1           0.000056503    0.000373491   -0.000690215
     76        1          -0.000087318   -0.000003657   -0.000033636
     77        1           0.000086912    0.000061473    0.000099075
     78        1           0.000373422    0.000190546   -0.000183236
     79        1          -0.000058116    0.000054656   -0.000185803
     80        1          -0.000096061   -0.000049324    0.000007362
     81        1           0.000051649    0.000154318   -0.000019863
     82        1          -0.000013995    0.000082023   -0.000001939
     83        1          -0.000016769   -0.000015359   -0.000084970
     84        1           0.000021055   -0.000044477    0.000068131
     85        1           0.000023346   -0.000049464   -0.000047389
     86        1          -0.000147108   -0.000045579   -0.000048231
     87        1           0.000157559    0.000010610    0.000067106
     88        1           0.000081594   -0.000179246    0.000067686
     89        1          -0.000209472    0.000205156   -0.000084464
     90        1          -0.000150738    0.000153883   -0.000269187
     91        1          -0.000001691   -0.000083652    0.000020501
     92        1          -0.000231827    0.000023172    0.000024595
     93        1          -0.000194441   -0.000068249   -0.000072805
     94        1           0.000173555   -0.000050833   -0.000026670
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005083994 RMS     0.000619567

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003714358 RMS     0.000481561
 Search for a local minimum.
 Step number  26 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   25   26
 DE= -1.22D-04 DEPred=-1.70D-04 R= 7.21D-01
 SS=  1.41D+00  RLast= 7.02D-01 DXNew= 1.1805D+00 2.1046D+00
 Trust test= 7.21D-01 RLast= 7.02D-01 DXMaxT set to 1.18D+00
     Eigenvalues ---    0.00042   0.00188   0.00228   0.00233   0.00241
     Eigenvalues ---    0.00263   0.00322   0.00335   0.00398   0.00405
     Eigenvalues ---    0.00466   0.00486   0.00525   0.00538   0.00566
     Eigenvalues ---    0.00638   0.00693   0.00874   0.00917   0.01232
     Eigenvalues ---    0.01347   0.01380   0.01400   0.01431   0.01443
     Eigenvalues ---    0.01490   0.01527   0.01599   0.01649   0.01826
     Eigenvalues ---    0.02008   0.02020   0.02082   0.02115   0.02127
     Eigenvalues ---    0.02142   0.02150   0.02151   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02185   0.02187
     Eigenvalues ---    0.02188   0.02192   0.02284   0.02321   0.02387
     Eigenvalues ---    0.02552   0.02824   0.03038   0.03211   0.03547
     Eigenvalues ---    0.03728   0.03801   0.03965   0.04025   0.04171
     Eigenvalues ---    0.04288   0.04374   0.04473   0.04669   0.04703
     Eigenvalues ---    0.04804   0.04950   0.05014   0.05071   0.05109
     Eigenvalues ---    0.05323   0.05398   0.05445   0.05488   0.05570
     Eigenvalues ---    0.05585   0.05620   0.05629   0.05658   0.05931
     Eigenvalues ---    0.05993   0.06370   0.06781   0.06849   0.07127
     Eigenvalues ---    0.07130   0.07210   0.07365   0.07409   0.07529
     Eigenvalues ---    0.07848   0.08026   0.08324   0.08643   0.09177
     Eigenvalues ---    0.09341   0.09536   0.09721   0.10944   0.11577
     Eigenvalues ---    0.12142   0.12547   0.12867   0.12989   0.14027
     Eigenvalues ---    0.14084   0.15491   0.15877   0.15939   0.15971
     Eigenvalues ---    0.15993   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16002   0.16003   0.16006   0.16013   0.16031
     Eigenvalues ---    0.16052   0.16181   0.16195   0.16347   0.16563
     Eigenvalues ---    0.16791   0.17712   0.17810   0.19009   0.19260
     Eigenvalues ---    0.19928   0.20374   0.20874   0.21236   0.21883
     Eigenvalues ---    0.21987   0.21999   0.22000   0.22002   0.22057
     Eigenvalues ---    0.22150   0.22489   0.22772   0.23171   0.23391
     Eigenvalues ---    0.23423   0.23498   0.23649   0.24075   0.24634
     Eigenvalues ---    0.24731   0.24818   0.24974   0.24990   0.25015
     Eigenvalues ---    0.25191   0.25599   0.25811   0.26464   0.26870
     Eigenvalues ---    0.26996   0.27464   0.27615   0.27894   0.28276
     Eigenvalues ---    0.28576   0.28877   0.29201   0.29772   0.30012
     Eigenvalues ---    0.30267   0.30630   0.31086   0.32155   0.32568
     Eigenvalues ---    0.33064   0.33558   0.34272   0.34458   0.34491
     Eigenvalues ---    0.34534   0.34598   0.34630   0.34660   0.34685
     Eigenvalues ---    0.34700   0.34712   0.34726   0.34741   0.34744
     Eigenvalues ---    0.34751   0.34752   0.34761   0.34776   0.34780
     Eigenvalues ---    0.34790   0.34798   0.34806   0.34814   0.34825
     Eigenvalues ---    0.34831   0.34853   0.34859   0.34872   0.34912
     Eigenvalues ---    0.34974   0.35283   0.35561   0.35866   0.35887
     Eigenvalues ---    0.35919   0.35943   0.35948   0.35968   0.35984
     Eigenvalues ---    0.35993   0.36004   0.36007   0.36026   0.36033
     Eigenvalues ---    0.36063   0.36933   0.37292   0.39392   0.40343
     Eigenvalues ---    0.40518   0.40945   0.42243   0.42279   0.42356
     Eigenvalues ---    0.42624   0.42755   0.43846   0.44605   0.45103
     Eigenvalues ---    0.45751   0.46081   0.46128   0.46145   0.46168
     Eigenvalues ---    0.46269   0.46341   0.46510   0.46702   0.46764
     Eigenvalues ---    0.46824   0.46935   0.47283   0.48097   0.49478
     Eigenvalues ---    0.51491   0.54444   0.55169   0.56581   0.59297
     Eigenvalues ---    0.60028   0.79770   0.90167   0.90574   0.94324
     Eigenvalues ---    1.226621000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    26   25   24   23   22
 RFO step:  Lambda=-1.36044698D-04.
 DIIS coeffs:      0.73760      0.32463     -0.05662     -0.33448      0.32888
 Iteration  1 RMS(Cart)=  0.02701394 RMS(Int)=  0.00026127
 Iteration  2 RMS(Cart)=  0.00030612 RMS(Int)=  0.00024549
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00024549
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68682  -0.00105   0.00034  -0.00131  -0.00097   2.68586
    R2        1.82848  -0.00007  -0.00008  -0.00046  -0.00054   1.82794
    R3        2.36523  -0.00140  -0.00048  -0.00029  -0.00077   2.36446
    R4        2.38339  -0.00099  -0.00009   0.00001  -0.00009   2.38330
    R5        2.36033   0.00043   0.00022  -0.00032  -0.00010   2.36023
    R6        2.70544  -0.00071  -0.00015   0.00035   0.00020   2.70563
    R7        2.63233  -0.00080   0.00003   0.00014   0.00017   2.63250
    R8        2.74348  -0.00174  -0.00038  -0.00079  -0.00117   2.74231
    R9        2.73879   0.00031   0.00013  -0.00045   0.00002   2.73881
   R10        2.68097  -0.00371  -0.00098  -0.00334  -0.00425   2.67672
   R11        2.73067  -0.00024   0.00046  -0.00075  -0.00029   2.73038
   R12        2.58659   0.00009   0.00060   0.00044   0.00104   2.58762
   R13        1.89480  -0.00160  -0.00105   0.00018  -0.00086   1.89393
   R14        2.72928   0.00024  -0.00001  -0.00014  -0.00015   2.72913
   R15        2.59510   0.00071   0.00032  -0.00064  -0.00032   2.59478
   R16        1.88167   0.00042   0.00007  -0.00006   0.00000   1.88168
   R17        2.63886   0.00342  -0.00229   0.00744   0.00485   2.64371
   R18        2.72167   0.00039  -0.00203   0.00420   0.00182   2.72348
   R19        1.87981   0.00116  -0.00116   0.00331   0.00215   1.88197
   R20        2.90779  -0.00117   0.00032   0.00056   0.00088   2.90867
   R21        2.91972   0.00042  -0.00060  -0.00084  -0.00144   2.91828
   R22        2.14524   0.00031   0.00024  -0.00018   0.00006   2.14530
   R23        2.91446   0.00115   0.00036   0.00014   0.00050   2.91496
   R24        2.94509  -0.00152  -0.00061   0.00009  -0.00052   2.94457
   R25        2.14608  -0.00030  -0.00021   0.00022   0.00002   2.14609
   R26        2.87771  -0.00193   0.00025  -0.00119  -0.00094   2.87677
   R27        2.12462   0.00019   0.00026   0.00004   0.00030   2.12492
   R28        2.11982   0.00014  -0.00006   0.00000  -0.00006   2.11975
   R29        2.94966   0.00015  -0.00006   0.00061   0.00054   2.95021
   R30        2.13473  -0.00024  -0.00032  -0.00001  -0.00033   2.13439
   R31        2.86681   0.00002  -0.00004   0.00024   0.00019   2.86701
   R32        2.86079   0.00037  -0.00019   0.00081   0.00062   2.86141
   R33        2.12770   0.00025   0.00013  -0.00024  -0.00011   2.12759
   R34        2.91169  -0.00039  -0.00021   0.00071   0.00049   2.91218
   R35        2.13892   0.00004   0.00017  -0.00020  -0.00002   2.13889
   R36        2.81193   0.00024  -0.00018  -0.00051  -0.00069   2.81124
   R37        2.12081   0.00031   0.00018   0.00000   0.00018   2.12100
   R38        2.11979   0.00051   0.00044  -0.00004   0.00040   2.12019
   R39        2.88311   0.00050   0.00012   0.00129   0.00163   2.88473
   R40        2.13306   0.00007   0.00011  -0.00009   0.00002   2.13308
   R41        2.13367   0.00067   0.00048   0.00014   0.00063   2.13429
   R42        2.88372  -0.00007   0.00032  -0.00065  -0.00033   2.88339
   R43        2.11490   0.00003   0.00000   0.00007   0.00006   2.11496
   R44        2.12329   0.00006  -0.00002   0.00014   0.00011   2.12341
   R45        2.80894  -0.00014  -0.00004  -0.00011  -0.00015   2.80879
   R46        2.12222   0.00006   0.00003   0.00002   0.00006   2.12227
   R47        2.12262   0.00016   0.00018  -0.00013   0.00005   2.12267
   R48        2.10974   0.00010   0.00007   0.00002   0.00010   2.10984
   R49        2.11024   0.00010   0.00004   0.00009   0.00013   2.11037
   R50        2.11071   0.00015   0.00012  -0.00009   0.00004   2.11075
   R51        2.11026   0.00002   0.00002   0.00004   0.00005   2.11031
   R52        2.10926   0.00006   0.00002  -0.00010  -0.00008   2.10918
   R53        2.11152   0.00002   0.00006  -0.00010  -0.00004   2.11148
   R54        2.12900   0.00009   0.00014   0.00010   0.00024   2.12924
   R55        2.13359   0.00014   0.00028  -0.00028  -0.00001   2.13359
   R56        2.64575   0.00014   0.00010  -0.00017  -0.00007   2.64568
   R57        2.64730  -0.00003  -0.00025   0.00002  -0.00024   2.64706
   R58        2.64708  -0.00012  -0.00005  -0.00004  -0.00009   2.64699
   R59        2.64456   0.00004   0.00007  -0.00012  -0.00006   2.64451
   R60        2.88843  -0.00017  -0.00020   0.00027   0.00008   2.88851
   R61        2.63317   0.00017   0.00003   0.00010   0.00012   2.63330
   R62        2.07854   0.00014   0.00011  -0.00004   0.00007   2.07861
   R63        2.63515  -0.00008   0.00000  -0.00014  -0.00014   2.63501
   R64        2.08511  -0.00016  -0.00025  -0.00004  -0.00028   2.08482
   R65        2.63293  -0.00002  -0.00001  -0.00001  -0.00002   2.63292
   R66        2.07879   0.00008   0.00008  -0.00003   0.00005   2.07884
   R67        2.63471   0.00001   0.00001   0.00003   0.00004   2.63475
   R68        2.07908   0.00014   0.00009   0.00001   0.00010   2.07917
   R69        2.12238   0.00035   0.00023  -0.00001   0.00022   2.12260
   R70        2.11719  -0.00002   0.00001  -0.00020  -0.00019   2.11700
   R71        2.63592  -0.00011   0.00002  -0.00009  -0.00007   2.63585
   R72        2.07808   0.00009   0.00006  -0.00003   0.00003   2.07811
   R73        2.63498   0.00012   0.00005   0.00005   0.00010   2.63508
   R74        2.07865   0.00016   0.00008  -0.00002   0.00006   2.07872
   R75        2.07783   0.00007   0.00002   0.00002   0.00004   2.07787
   R76        2.63638   0.00001   0.00000   0.00002   0.00002   2.63640
   R77        2.07819   0.00008   0.00006  -0.00002   0.00004   2.07823
   R78        2.63493  -0.00003  -0.00002  -0.00003  -0.00004   2.63489
   R79        2.07804   0.00007   0.00005  -0.00003   0.00002   2.07806
   R80        2.07751   0.00007   0.00003   0.00001   0.00004   2.07755
   R81        2.66393  -0.00137  -0.00053   0.00038  -0.00016   2.66377
   R82        2.65655  -0.00009   0.00029   0.00005   0.00034   2.65689
   R83        2.64108   0.00028   0.00033  -0.00014   0.00019   2.64127
   R84        2.79879  -0.00038  -0.00041   0.00001  -0.00040   2.79839
   R85        2.64664  -0.00043  -0.00050   0.00033  -0.00017   2.64647
   R86        2.79931  -0.00042  -0.00034   0.00018  -0.00016   2.79915
   R87        2.63366  -0.00013  -0.00031   0.00027  -0.00004   2.63362
   R88        2.07993  -0.00002  -0.00004   0.00000  -0.00004   2.07989
   R89        2.62931   0.00064   0.00048  -0.00028   0.00019   2.62951
   R90        2.07958   0.00010   0.00005  -0.00004   0.00001   2.07959
   R91        2.11211   0.00011  -0.00004   0.00019   0.00015   2.11226
   R92        2.11714   0.00001   0.00006  -0.00019  -0.00013   2.11702
   R93        2.11395   0.00023   0.00021  -0.00003   0.00019   2.11414
   R94        2.11265  -0.00002  -0.00009   0.00002  -0.00007   2.11258
   R95        2.11412   0.00013   0.00012  -0.00003   0.00009   2.11421
   R96        2.11478   0.00017   0.00020  -0.00009   0.00011   2.11489
   R97        2.07839   0.00015   0.00013  -0.00008   0.00005   2.07844
    A1        1.90517  -0.00195  -0.00326  -0.00157  -0.00484   1.90034
    A2        1.99696  -0.00012  -0.00052   0.00061   0.00009   1.99705
    A3        2.05909   0.00021  -0.00048   0.00486   0.00414   2.06323
    A4        2.03835  -0.00082   0.00160   0.00408   0.00535   2.04369
    A5        2.07745   0.00066   0.00295   0.00204   0.00495   2.08241
    A6        2.18299  -0.00147  -0.00267  -0.00101  -0.00368   2.17931
    A7        2.03160   0.00105   0.00119   0.00070   0.00190   2.03350
    A8        2.06089   0.00045   0.00124   0.00062   0.00186   2.06275
    A9        2.13956  -0.00031  -0.00106   0.00184   0.00077   2.14033
   A10        2.02815   0.00033   0.00143  -0.00075   0.00067   2.02882
   A11        2.06867  -0.00002   0.00039   0.00025   0.00064   2.06930
   A12        2.10278  -0.00056   0.00519  -0.00556   0.00152   2.10430
   A13        1.99548   0.00042   0.00958  -0.01004   0.00313   1.99860
   A14        2.04621   0.00035   0.00931  -0.01094   0.00185   2.04806
   A15        2.00593  -0.00203  -0.00115  -0.00020  -0.00134   2.00459
   A16        1.93987   0.00133   0.00094  -0.00044   0.00049   1.94036
   A17        1.87787   0.00026  -0.00036   0.00039   0.00004   1.87791
   A18        1.90943   0.00076   0.00088  -0.00023   0.00065   1.91008
   A19        1.85251   0.00004  -0.00108   0.00039  -0.00069   1.85182
   A20        1.87122  -0.00035   0.00077   0.00017   0.00094   1.87216
   A21        1.99223   0.00096   0.00004   0.00124   0.00128   1.99351
   A22        1.92811  -0.00059   0.00004  -0.00390  -0.00386   1.92425
   A23        1.86924  -0.00045  -0.00040   0.00172   0.00131   1.87055
   A24        1.90562  -0.00011  -0.00064   0.00230   0.00166   1.90728
   A25        1.86392   0.00023   0.00061   0.00043   0.00104   1.86496
   A26        1.90164  -0.00004   0.00041  -0.00182  -0.00142   1.90022
   A27        1.99835  -0.00058   0.00026   0.00160   0.00186   2.00021
   A28        1.89209  -0.00010  -0.00067  -0.00098  -0.00164   1.89045
   A29        1.87000   0.00047   0.00012   0.00125   0.00138   1.87138
   A30        1.91388  -0.00023  -0.00221  -0.00021  -0.00242   1.91146
   A31        1.91049   0.00039   0.00200  -0.00265  -0.00065   1.90983
   A32        1.87481   0.00009   0.00056   0.00102   0.00158   1.87639
   A33        1.99068  -0.00210  -0.00467  -0.00094  -0.00559   1.98510
   A34        1.87887   0.00176  -0.00276   0.00617   0.00344   1.88232
   A35        1.84302   0.00005   0.00599  -0.00664  -0.00068   1.84234
   A36        1.93762  -0.00002   0.00083  -0.00088   0.00001   1.93762
   A37        1.91534   0.00063   0.00073   0.00090   0.00161   1.91695
   A38        1.89386  -0.00023   0.00017   0.00131   0.00147   1.89533
   A39        1.90417  -0.00022  -0.00039   0.00199   0.00159   1.90577
   A40        1.94159   0.00040   0.00027  -0.00084  -0.00056   1.94103
   A41        1.89690  -0.00011  -0.00065   0.00118   0.00053   1.89743
   A42        1.91546  -0.00010   0.00031  -0.00124  -0.00093   1.91453
   A43        1.89385   0.00008   0.00023  -0.00040  -0.00018   1.89367
   A44        1.91115  -0.00006   0.00021  -0.00065  -0.00044   1.91072
   A45        1.94783   0.00033   0.00111  -0.00168  -0.00057   1.94726
   A46        1.95224   0.00005   0.00038  -0.00031   0.00008   1.95232
   A47        1.88048  -0.00010  -0.00042  -0.00026  -0.00068   1.87980
   A48        1.90394  -0.00038   0.00006   0.00072   0.00078   1.90472
   A49        1.87884  -0.00002  -0.00160   0.00229   0.00069   1.87953
   A50        1.89836   0.00013   0.00035  -0.00065  -0.00030   1.89806
   A51        1.95422   0.00130   0.00061   0.00029   0.00089   1.95511
   A52        1.91900   0.00018   0.00032  -0.00063  -0.00031   1.91869
   A53        1.88158  -0.00088  -0.00092   0.00031  -0.00061   1.88097
   A54        1.92070  -0.00073  -0.00036  -0.00066  -0.00102   1.91968
   A55        1.91379  -0.00016   0.00003   0.00022   0.00025   1.91404
   A56        1.87236   0.00025   0.00030   0.00051   0.00082   1.87317
   A57        2.14483   0.00028  -0.00108   0.00103  -0.00004   2.14479
   A58        2.11907   0.00083   0.00053   0.00058   0.00111   2.12018
   A59        2.01770  -0.00112   0.00036  -0.00152  -0.00115   2.01655
   A60        1.99857  -0.00013   0.00082  -0.00222  -0.00100   1.99756
   A61        1.86906   0.00014  -0.00025   0.00357   0.00327   1.87233
   A62        1.90881  -0.00016  -0.00045  -0.00097  -0.00161   1.90719
   A63        1.90378  -0.00006   0.00006  -0.00040  -0.00052   1.90326
   A64        1.89253   0.00031   0.00050   0.00032   0.00078   1.89330
   A65        1.88838  -0.00011  -0.00079  -0.00020  -0.00093   1.88745
   A66        1.93266   0.00015   0.00030   0.00030   0.00057   1.93323
   A67        1.89971   0.00003   0.00015  -0.00028  -0.00005   1.89966
   A68        1.91819  -0.00019  -0.00018  -0.00072  -0.00096   1.91723
   A69        1.90643  -0.00013  -0.00038   0.00028  -0.00016   1.90627
   A70        1.92427   0.00004  -0.00032   0.00035   0.00011   1.92438
   A71        1.88164   0.00011   0.00045   0.00005   0.00049   1.88213
   A72        1.97192  -0.00023  -0.00022  -0.00025  -0.00046   1.97146
   A73        1.90252   0.00009   0.00039   0.00076   0.00115   1.90367
   A74        1.87562   0.00007  -0.00009   0.00077   0.00068   1.87630
   A75        1.92913   0.00006   0.00059  -0.00136  -0.00077   1.92836
   A76        1.90554   0.00013  -0.00004   0.00041   0.00038   1.90592
   A77        1.87598  -0.00011  -0.00068  -0.00029  -0.00097   1.87501
   A78        2.11393  -0.00104   0.00004  -0.00076  -0.00050   2.11343
   A79        2.08046   0.00086   0.00030   0.00078   0.00131   2.08177
   A80        2.08546   0.00018   0.00009   0.00000  -0.00029   2.08516
   A81        1.93353   0.00007   0.00014  -0.00027  -0.00013   1.93340
   A82        1.91373   0.00006   0.00017  -0.00034  -0.00017   1.91356
   A83        1.93020  -0.00018  -0.00031   0.00058   0.00027   1.93046
   A84        1.89279  -0.00003  -0.00008   0.00024   0.00016   1.89295
   A85        1.90156   0.00001  -0.00009   0.00004  -0.00005   1.90151
   A86        1.89112   0.00007   0.00017  -0.00025  -0.00008   1.89104
   A87        1.93191  -0.00010  -0.00023   0.00000  -0.00023   1.93168
   A88        1.94015   0.00007   0.00006   0.00019   0.00025   1.94040
   A89        1.91738  -0.00014  -0.00026  -0.00001  -0.00027   1.91712
   A90        1.89167   0.00007   0.00029  -0.00007   0.00022   1.89190
   A91        1.89342   0.00006   0.00006  -0.00013  -0.00007   1.89336
   A92        1.88806   0.00004   0.00010   0.00000   0.00009   1.88816
   A93        1.97849  -0.00024  -0.00278   0.00364   0.00025   1.97874
   A94        1.91184   0.00009  -0.00139   0.00115   0.00002   1.91186
   A95        1.87832   0.00007   0.00402  -0.00428  -0.00014   1.87818
   A96        1.90819   0.00006   0.00053  -0.00093  -0.00021   1.90798
   A97        1.90287   0.00009  -0.00001   0.00034   0.00047   1.90334
   A98        1.88157  -0.00007  -0.00023  -0.00012  -0.00043   1.88115
   A99        2.09548  -0.00035   0.00000  -0.00005  -0.00005   2.09543
   A100       2.10344   0.00076   0.00034  -0.00010   0.00023   2.10367
   A101       2.08420  -0.00041  -0.00033   0.00015  -0.00018   2.08403
   A102       2.09826   0.00019   0.00031  -0.00005   0.00026   2.09852
   A103       2.10358  -0.00019  -0.00019  -0.00013  -0.00032   2.10326
   A104       2.08125   0.00000  -0.00012   0.00019   0.00007   2.08132
   A105       2.14087   0.00010  -0.00082   0.00085   0.00002   2.14090
   A106       2.06464   0.00058  -0.00038   0.00069   0.00030   2.06495
   A107       2.07595  -0.00068   0.00116  -0.00123  -0.00007   2.07588
   A108       2.09949   0.00025   0.00019  -0.00005   0.00013   2.09962
   A109       2.08930   0.00002   0.00009   0.00007   0.00015   2.08945
   A110       2.09440  -0.00027  -0.00027  -0.00001  -0.00028   2.09411
   A111       2.09625   0.00024   0.00029  -0.00012   0.00017   2.09643
   A112       2.09849   0.00031   0.00015  -0.00005   0.00011   2.09860
   A113       2.08840  -0.00055  -0.00043   0.00016  -0.00027   2.08813
   A114       2.10029   0.00001   0.00009  -0.00014  -0.00005   2.10023
   A115       2.08817   0.00003   0.00003   0.00014   0.00017   2.08834
   A116       2.09471  -0.00004  -0.00012   0.00001  -0.00011   2.09460
   A117       2.10006  -0.00001   0.00004  -0.00006  -0.00001   2.10005
   A118       2.09099   0.00001  -0.00002   0.00008   0.00007   2.09106
   A119       2.09212   0.00000  -0.00003  -0.00003  -0.00005   2.09207
   A120       1.93701  -0.00180   0.00009  -0.00046  -0.00037   1.93665
   A121       1.87218   0.00034   0.00003   0.00004   0.00008   1.87226
   A122       1.95500   0.00063   0.00035  -0.00015   0.00020   1.95520
   A123       1.88119   0.00098   0.00055  -0.00010   0.00044   1.88163
   A124       1.89295   0.00012  -0.00032   0.00021  -0.00011   1.89285
   A125       1.92428  -0.00025  -0.00069   0.00046  -0.00024   1.92404
   A126       2.09601  -0.00001   0.00002  -0.00006  -0.00004   2.09597
   A127       2.09269  -0.00004  -0.00011   0.00006  -0.00005   2.09264
   A128       2.09449   0.00005   0.00008   0.00000   0.00008   2.09458
   A129       2.09824   0.00010   0.00001   0.00003   0.00004   2.09828
   A130       2.08850  -0.00002   0.00007  -0.00003   0.00005   2.08855
   A131       2.09644  -0.00008  -0.00008  -0.00001  -0.00008   2.09636
   A132       2.09218  -0.00018  -0.00018   0.00005  -0.00013   2.09205
   A133       2.09488   0.00012   0.00016  -0.00004   0.00013   2.09501
   A134       2.09612   0.00005   0.00002  -0.00001   0.00001   2.09613
   A135       2.09657   0.00003   0.00003   0.00001   0.00003   2.09660
   A136       2.09207  -0.00001  -0.00002   0.00002   0.00000   2.09207
   A137       2.09454  -0.00001  -0.00001  -0.00003  -0.00004   2.09451
   A138       2.09689   0.00000   0.00005  -0.00007  -0.00003   2.09686
   A139       2.09194  -0.00002  -0.00004   0.00001  -0.00003   2.09191
   A140       2.09436   0.00002  -0.00001   0.00006   0.00005   2.09441
   A141       2.09132  -0.00003  -0.00008   0.00007  -0.00001   2.09131
   A142       2.09574   0.00000   0.00002  -0.00005  -0.00003   2.09571
   A143       2.09613   0.00003   0.00006  -0.00002   0.00004   2.09617
   A144       2.04507  -0.00119   0.00008   0.00096   0.00104   2.04611
   A145       2.11886   0.00038  -0.00084  -0.00031  -0.00115   2.11771
   A146       2.11562   0.00081   0.00067  -0.00060   0.00007   2.11569
   A147       2.06927  -0.00006  -0.00018   0.00021   0.00003   2.06929
   A148       2.11733  -0.00104  -0.00120   0.00132   0.00011   2.11744
   A149       2.09658   0.00110   0.00138  -0.00152  -0.00013   2.09644
   A150       2.06994  -0.00043  -0.00043   0.00042  -0.00001   2.06992
   A151       2.12584  -0.00072  -0.00123   0.00039  -0.00084   2.12499
   A152       2.08734   0.00114   0.00167  -0.00082   0.00086   2.08820
   A153       2.10723  -0.00035  -0.00034   0.00019  -0.00015   2.10708
   A154       2.08487   0.00005  -0.00021   0.00040   0.00020   2.08507
   A155       2.09108   0.00030   0.00054  -0.00059  -0.00005   2.09103
   A156       2.10658  -0.00011  -0.00006  -0.00004  -0.00010   2.10648
   A157       2.08214   0.00017   0.00046  -0.00039   0.00007   2.08220
   A158       2.09445  -0.00006  -0.00040   0.00044   0.00004   2.09448
   A159       1.93735  -0.00004   0.00043  -0.00068  -0.00025   1.93711
   A160       1.91891   0.00019   0.00056  -0.00031   0.00025   1.91917
   A161       1.93152  -0.00020  -0.00117   0.00101  -0.00016   1.93136
   A162       1.88903   0.00001   0.00030  -0.00035  -0.00005   1.88897
   A163       1.89063   0.00023   0.00075  -0.00070   0.00005   1.89068
   A164       1.89526  -0.00020  -0.00087   0.00103   0.00016   1.89542
   A165       1.93639   0.00001   0.00028  -0.00016   0.00012   1.93651
   A166       1.92716  -0.00010  -0.00012  -0.00011  -0.00023   1.92693
   A167       1.92689  -0.00007  -0.00052   0.00022  -0.00029   1.92660
   A168       1.89124   0.00015   0.00055  -0.00010   0.00046   1.89170
   A169       1.88821   0.00007   0.00025  -0.00002   0.00023   1.88844
   A170       1.89271  -0.00005  -0.00045   0.00017  -0.00028   1.89244
   A171       2.09726   0.00014   0.00041  -0.00021   0.00020   2.09747
   A172       2.09135   0.00003   0.00023  -0.00048  -0.00025   2.09109
   A173       2.09455  -0.00017  -0.00063   0.00069   0.00005   2.09461
    D1        0.04853   0.00042  -0.09604   0.11700   0.02092   0.06945
    D2       -2.10971   0.00057  -0.09205   0.11415   0.02214  -2.08757
    D3        2.15295  -0.00001  -0.09385   0.11303   0.01919   2.17214
    D4        2.39056  -0.00070   0.00355  -0.00313   0.00042   2.39099
    D5       -1.84182  -0.00032   0.00428  -0.00348   0.00080  -1.84102
    D6        0.27196  -0.00002   0.00366  -0.00297   0.00068   0.27264
    D7       -2.15468   0.00064   0.00975   0.00098   0.01073  -2.14395
    D8        1.07732   0.00061   0.01073   0.00048   0.01122   1.08853
    D9        0.94177  -0.00046  -0.00102  -0.01033  -0.01140   0.93036
   D10       -1.21349  -0.00056  -0.00024  -0.01124  -0.01153  -1.22502
   D11        3.00095   0.00008  -0.00052  -0.00791  -0.00847   2.99248
   D12       -2.68686  -0.00015   0.00815   0.01315   0.02135  -2.66551
   D13        1.44107  -0.00025   0.00894   0.01224   0.02123   1.46229
   D14       -0.62768   0.00039   0.00866   0.01557   0.02428  -0.60340
   D15        2.47668   0.00014   0.00661   0.01870   0.02540   2.50208
   D16       -1.69354   0.00009   0.00703   0.01934   0.02645  -1.66709
   D17        0.34891  -0.00005   0.00573   0.02057   0.02631   0.37521
   D18       -0.16676   0.00025  -0.00242  -0.00591  -0.00820  -0.17496
   D19        1.94621   0.00019  -0.00200  -0.00527  -0.00715   1.93906
   D20       -2.29453   0.00006  -0.00330  -0.00404  -0.00730  -2.30183
   D21        0.14635  -0.00028   0.00410  -0.02791  -0.02374   0.12261
   D22       -3.08363  -0.00013   0.01092  -0.02760  -0.01653  -3.10015
   D23        2.79559  -0.00011   0.01247  -0.00335   0.00915   2.80474
   D24       -0.43439   0.00004   0.01929  -0.00305   0.01637  -0.41802
   D25       -0.93482   0.00088  -0.00927  -0.00236  -0.01163  -0.94645
   D26       -3.11527   0.00035  -0.01033  -0.00152  -0.01186  -3.12713
   D27        1.12416  -0.00012  -0.01157  -0.00172  -0.01329   1.11088
   D28        2.34289   0.00060  -0.00740  -0.00514  -0.01254   2.33035
   D29        0.16243   0.00007  -0.00846  -0.00430  -0.01276   0.14967
   D30       -1.88132  -0.00040  -0.00969  -0.00450  -0.01419  -1.89551
   D31        0.17352   0.00019   0.00195  -0.00538  -0.00343   0.17010
   D32       -3.02786   0.00002  -0.00125  -0.00357  -0.00482  -3.03268
   D33       -3.10626   0.00052   0.00003  -0.00256  -0.00252  -3.10878
   D34       -0.02446   0.00034  -0.00316  -0.00074  -0.00391  -0.02837
   D35       -1.76495   0.00001   0.01258  -0.01711  -0.00453  -1.76947
   D36        2.37965   0.00023   0.01140  -0.01659  -0.00519   2.37446
   D37        0.29412   0.00011   0.01101  -0.01544  -0.00443   0.28968
   D38        1.04746   0.00001   0.01527  -0.01252   0.00275   1.05021
   D39       -1.09113   0.00023   0.01409  -0.01200   0.00209  -1.08904
   D40        3.10653   0.00011   0.01370  -0.01085   0.00284   3.10937
   D41       -0.11993  -0.00004  -0.00241   0.00871   0.00630  -0.11363
   D42        3.08574  -0.00005  -0.00154   0.00293   0.00139   3.08714
   D43       -2.92509  -0.00009  -0.00533   0.00419  -0.00114  -2.92623
   D44        0.28058  -0.00011  -0.00446  -0.00159  -0.00605   0.27453
   D45       -2.84986  -0.00020  -0.02246   0.01402  -0.00806  -2.85792
   D46        0.37842  -0.00025  -0.02914   0.01380  -0.01506   0.36336
   D47       -0.26491   0.00032   0.04277  -0.03791   0.00456  -0.26035
   D48        2.96336   0.00027   0.03609  -0.03814  -0.00243   2.96093
   D49        0.27283   0.00031   0.02049  -0.01437   0.00576   0.27858
   D50        2.40919   0.00030   0.01827  -0.01220   0.00568   2.41487
   D51       -1.83287   0.00030   0.01950  -0.01412   0.00511  -1.82776
   D52       -2.29660  -0.00023  -0.04658   0.03867  -0.00759  -2.30419
   D53       -0.16023  -0.00025  -0.04880   0.04084  -0.00767  -0.16791
   D54        1.88089  -0.00024  -0.04757   0.03892  -0.00824   1.87264
   D55       -0.91760  -0.00003   0.00747  -0.00220   0.00527  -0.91234
   D56        1.22513  -0.00079   0.00429  -0.00211   0.00217   1.22730
   D57       -3.03963  -0.00050   0.00467  -0.00076   0.00390  -3.03573
   D58        1.27868   0.00083   0.00857  -0.00314   0.00543   1.28412
   D59       -2.86177   0.00006   0.00539  -0.00305   0.00234  -2.85943
   D60       -0.84334   0.00035   0.00577  -0.00170   0.00406  -0.83928
   D61       -2.99082   0.00081   0.00933  -0.00285   0.00648  -2.98434
   D62       -0.84809   0.00005   0.00614  -0.00276   0.00339  -0.84470
   D63        1.17034   0.00034   0.00652  -0.00141   0.00511   1.17545
   D64       -1.10455  -0.00058   0.01170  -0.00105   0.01065  -1.09390
   D65        1.03630  -0.00050   0.01189  -0.00215   0.00973   1.04603
   D66        3.07214  -0.00060   0.01190  -0.00171   0.01019   3.08233
   D67        2.94494   0.00050   0.01183  -0.00029   0.01154   2.95647
   D68       -1.19740   0.00058   0.01201  -0.00139   0.01062  -1.18678
   D69        0.83844   0.00049   0.01203  -0.00095   0.01108   0.84952
   D70        0.94326   0.00026   0.01225  -0.00072   0.01152   0.95478
   D71        3.08410   0.00034   0.01243  -0.00182   0.01061   3.09471
   D72       -1.16324   0.00024   0.01245  -0.00138   0.01107  -1.15217
   D73        3.02836   0.00019  -0.00015   0.00944   0.00929   3.03766
   D74        0.91274   0.00020  -0.00045   0.01020   0.00975   0.92249
   D75       -1.19274   0.00010  -0.00047   0.01076   0.01029  -1.18245
   D76       -1.08747   0.00002  -0.00056   0.00700   0.00644  -1.08103
   D77        3.08009   0.00004  -0.00087   0.00777   0.00690   3.08699
   D78        0.97461  -0.00007  -0.00088   0.00833   0.00744   0.98206
   D79        0.96614   0.00004  -0.00008   0.00629   0.00621   0.97235
   D80       -1.14948   0.00005  -0.00039   0.00706   0.00667  -1.14281
   D81        3.02823  -0.00006  -0.00040   0.00762   0.00721   3.03544
   D82        1.67179   0.00074   0.00280   0.00944   0.01224   1.68403
   D83       -1.41097   0.00092   0.00602   0.00764   0.01366  -1.39731
   D84       -0.53280   0.00000   0.00318   0.00896   0.01214  -0.52067
   D85        2.66762   0.00019   0.00640   0.00716   0.01355   2.68117
   D86       -2.56252  -0.00018   0.00258   0.00818   0.01076  -2.55175
   D87        0.63791   0.00001   0.00580   0.00638   0.01218   0.65009
   D88        1.61096  -0.00117   0.01956  -0.04409  -0.02453   1.58643
   D89       -2.54605  -0.00041   0.01326  -0.03732  -0.02407  -2.57012
   D90       -0.45257  -0.00031   0.01448  -0.03566  -0.02118  -0.47375
   D91       -0.51994  -0.00046   0.02192  -0.04378  -0.02186  -0.54180
   D92        1.60623   0.00030   0.01562  -0.03701  -0.02139   1.58484
   D93       -2.58347   0.00040   0.01684  -0.03536  -0.01851  -2.60198
   D94       -2.57254  -0.00067   0.02137  -0.04334  -0.02197  -2.59451
   D95       -0.44637   0.00009   0.01507  -0.03657  -0.02151  -0.46788
   D96        1.64711   0.00019   0.01629  -0.03491  -0.01862   1.62849
   D97       -1.10103  -0.00077  -0.01310   0.01323   0.00013  -1.10090
   D98        1.06500  -0.00076  -0.01180   0.01220   0.00040   1.06540
   D99        3.12211  -0.00082  -0.01224   0.01310   0.00086   3.12297
   D100       2.99196   0.00067  -0.00591   0.01068   0.00477   2.99673
   D101      -1.12520   0.00069  -0.00461   0.00965   0.00504  -1.12016
   D102       0.93191   0.00062  -0.00505   0.01054   0.00550   0.93741
   D103       0.88574   0.00006  -0.00745   0.00927   0.00182   0.88756
   D104       3.05177   0.00007  -0.00614   0.00824   0.00209   3.05386
   D105      -1.17431   0.00001  -0.00658   0.00913   0.00255  -1.17176
   D106      -1.08263  -0.00013   0.00373  -0.00099   0.00273  -1.07990
   D107       3.11201  -0.00017   0.00362  -0.00090   0.00272   3.11474
   D108       1.02763  -0.00019   0.00350  -0.00074   0.00276   1.03039
   D109       1.04883   0.00016   0.00401  -0.00154   0.00247   1.05130
   D110      -1.03971   0.00012   0.00391  -0.00145   0.00246  -1.03725
   D111      -3.12410   0.00011   0.00378  -0.00128   0.00250  -3.12160
   D112       3.13656   0.00008   0.00459  -0.00330   0.00129   3.13785
   D113       1.04802   0.00004   0.00449  -0.00321   0.00128   1.04930
   D114      -1.03637   0.00003   0.00436  -0.00305   0.00132  -1.03505
   D115       0.88563   0.00000   0.00512  -0.00057   0.00455   0.89017
   D116      -1.21772  -0.00007   0.00487  -0.00061   0.00425  -1.21346
   D117       2.97627  -0.00007   0.00488  -0.00073   0.00415   2.98042
   D118      -1.22338   0.00009   0.00522  -0.00169   0.00353  -1.21985
   D119       2.95646   0.00002   0.00497  -0.00173   0.00324   2.95970
   D120       0.86726   0.00002   0.00498  -0.00185   0.00313   0.87039
   D121       2.98269   0.00008   0.00462  -0.00005   0.00457   2.98726
   D122       0.87935   0.00001   0.00437  -0.00010   0.00428   0.88363
   D123      -1.20985   0.00001   0.00439  -0.00022   0.00417  -1.20568
   D124      -1.03208   0.00010  -0.00315   0.00323   0.00008  -1.03199
   D125       1.11989   0.00008  -0.00226   0.00188  -0.00038   1.11951
   D126      -3.13520   0.00003  -0.00291   0.00235  -0.00056  -3.13576
   D127       3.08768  -0.00009  -0.00489   0.00508   0.00019   3.08788
   D128      -1.04354  -0.00010  -0.00400   0.00372  -0.00027  -1.04381
   D129       0.98456  -0.00015  -0.00465   0.00420  -0.00045   0.98411
   D130       1.04290   0.00008  -0.00321   0.00230  -0.00090   1.04200
   D131      -3.08832   0.00006  -0.00231   0.00095  -0.00137  -3.08969
   D132      -1.06022   0.00002  -0.00297   0.00142  -0.00155  -1.06177
   D133      -1.56199   0.00052   0.00863  -0.01049  -0.00186  -1.56384
   D134       1.59186   0.00061   0.00838  -0.01078  -0.00240   1.58946
   D135       2.58132  -0.00008   0.00806  -0.00941  -0.00135   2.57997
   D136      -0.54801   0.00001   0.00781  -0.00970  -0.00189  -0.54990
   D137       0.52571   0.00014   0.00789  -0.00977  -0.00188   0.52383
   D138      -2.60362   0.00023   0.00764  -0.01006  -0.00243  -2.60605
   D139       0.77463   0.00008  -0.00421   0.00451   0.00041   0.77504
   D140       2.87055   0.00002  -0.00440   0.00486   0.00053   2.87108
   D141      -1.35560   0.00006  -0.00388   0.00434   0.00054  -1.35506
   D142      -1.31910   0.00003  -0.00448   0.00169  -0.00274  -1.32184
   D143       0.77683  -0.00003  -0.00467   0.00205  -0.00263   0.77420
   D144       2.83386   0.00001  -0.00415   0.00153  -0.00262   2.83125
   D145       2.91127   0.00001  -0.00386   0.00197  -0.00178   2.90949
   D146      -1.27599  -0.00004  -0.00405   0.00233  -0.00166  -1.27765
   D147       0.78104   0.00000  -0.00352   0.00181  -0.00165   0.77939
   D148      -0.82603   0.00009  -0.00366   0.00486   0.00133  -0.82470
   D149      -2.96442   0.00009  -0.00036   0.00155   0.00129  -2.96314
   D150       1.26572   0.00009  -0.00038   0.00203   0.00165   1.26737
   D151      -2.91794   0.00005  -0.00378   0.00484   0.00115  -2.91678
   D152       1.22686   0.00005  -0.00049   0.00153   0.00110   1.22796
   D153      -0.82618   0.00005  -0.00051   0.00201   0.00146  -0.82472
   D154       1.30063  -0.00003  -0.00391   0.00439   0.00058   1.30121
   D155      -0.83776  -0.00003  -0.00061   0.00108   0.00053  -0.83722
   D156      -2.89080  -0.00003  -0.00063   0.00156   0.00089  -2.88990
   D157      -1.25421  -0.00001   0.00963  -0.01007  -0.00045  -1.25465
   D158       1.90264  -0.00002   0.01012  -0.01075  -0.00062   1.90202
   D159       2.89181  -0.00001   0.00884  -0.00988  -0.00104   2.89076
   D160      -0.23453  -0.00002   0.00934  -0.01056  -0.00122  -0.23575
   D161       0.83176   0.00001   0.00935  -0.00898   0.00037   0.83213
   D162      -2.29458   0.00001   0.00985  -0.00965   0.00019  -2.29438
   D163      -3.12821  -0.00001  -0.00062   0.00037  -0.00025  -3.12846
   D164       0.00999   0.00005  -0.00026   0.00038   0.00012   0.01011
   D165       0.00126  -0.00009  -0.00036   0.00066   0.00029   0.00155
   D166       3.13946  -0.00003  -0.00001   0.00067   0.00066   3.14012
   D167       3.12790  -0.00001   0.00082  -0.00075   0.00008   3.12797
   D168      -0.02336   0.00028   0.00279  -0.00157   0.00121  -0.02214
   D169      -0.00152   0.00008   0.00057  -0.00103  -0.00046  -0.00198
   D170       3.13041   0.00037   0.00253  -0.00186   0.00068   3.13109
   D171      -3.12492  -0.00001   0.00021  -0.00085  -0.00064  -3.12556
   D172       0.02354  -0.00002   0.00011  -0.00123  -0.00113   0.02241
   D173       0.00161   0.00000  -0.00027  -0.00019  -0.00046   0.00114
   D174      -3.13312  -0.00001  -0.00038  -0.00057  -0.00095  -3.13407
   D175       3.12460   0.00000  -0.00049   0.00087   0.00038   3.12498
   D176      -0.01981   0.00000   0.00015   0.00032   0.00048  -0.01933
   D177      -0.00188  -0.00001  -0.00001   0.00021   0.00020  -0.00168
   D178       3.13690  -0.00001   0.00064  -0.00034   0.00030   3.13720
   D179       2.69385   0.00015   0.01313  -0.00532   0.00781   2.70166
   D180       0.64854   0.00016   0.01271  -0.00505   0.00766   0.65620
   D181      -1.43471  -0.00016   0.01340  -0.00566   0.00775  -1.42697
   D182      -0.50901   0.00015   0.01228   0.00022   0.01250  -0.49651
   D183      -2.55432   0.00017   0.01186   0.00048   0.01235  -2.54197
   D184       1.64561  -0.00016   0.01255  -0.00012   0.01244   1.65805
   D185       0.00032   0.00004  -0.00010   0.00011   0.00001   0.00033
   D186       3.13948   0.00005   0.00012   0.00034   0.00046   3.13994
   D187      -3.13787  -0.00002  -0.00046   0.00010  -0.00036  -3.13823
   D188       0.00129  -0.00001  -0.00023   0.00033   0.00009   0.00138
   D189       0.00020  -0.00001  -0.00031   0.00065   0.00033   0.00053
   D190       3.13953   0.00007   0.00000   0.00061   0.00061   3.14014
   D191      -3.13179  -0.00030  -0.00227   0.00147  -0.00080  -3.13259
   D192       0.00754  -0.00022  -0.00195   0.00143  -0.00052   0.00702
   D193       0.00022   0.00001   0.00028   0.00007   0.00035   0.00057
   D194      -3.13971   0.00002   0.00025   0.00005   0.00030  -3.13941
   D195       3.13492   0.00002   0.00039   0.00045   0.00084   3.13576
   D196      -0.00501   0.00003   0.00036   0.00044   0.00080  -0.00422
   D197       0.00032   0.00002   0.00029  -0.00010   0.00019   0.00051
   D198       3.14081   0.00002   0.00047  -0.00019   0.00028   3.14109
   D199      -3.13846   0.00002  -0.00036   0.00045   0.00009  -3.13837
   D200       0.00203   0.00002  -0.00018   0.00036   0.00019   0.00222
   D201      -0.00166   0.00003   0.00037  -0.00051  -0.00014  -0.00180
   D202       3.13946  -0.00002   0.00024  -0.00028  -0.00003   3.13942
   D203      -3.14081   0.00002   0.00014  -0.00073  -0.00059  -3.14140
   D204       0.00030  -0.00004   0.00001  -0.00050  -0.00049  -0.00019
   D205       0.00140  -0.00005  -0.00016   0.00013  -0.00003   0.00137
   D206      -3.13971   0.00001  -0.00003  -0.00010  -0.00014  -3.13985
   D207      -3.13793  -0.00013  -0.00048   0.00017  -0.00031  -3.13824
   D208       0.00415  -0.00008  -0.00035  -0.00006  -0.00041   0.00373
   D209      -0.00180  -0.00001   0.00000   0.00004   0.00004  -0.00175
   D210       3.14054   0.00000  -0.00005   0.00010   0.00005   3.14059
   D211       3.13814  -0.00001   0.00003   0.00006   0.00009   3.13822
   D212      -0.00271   0.00000  -0.00001   0.00011   0.00009  -0.00262
   D213       0.00153  -0.00001  -0.00028  -0.00003  -0.00031   0.00122
   D214      -3.14081  -0.00002  -0.00024  -0.00008  -0.00032  -3.14112
   D215      -3.13896  -0.00001  -0.00047   0.00006  -0.00041  -3.13936
   D216       0.00189  -0.00002  -0.00042   0.00001  -0.00041   0.00148
   D217      -3.07464   0.00011   0.00305  -0.00173   0.00132  -3.07332
   D218       0.06114   0.00016   0.00245  -0.00098   0.00146   0.06260
   D219      -0.02327   0.00012   0.00199  -0.00122   0.00077  -0.02250
   D220       3.11250   0.00017   0.00139  -0.00047   0.00092   3.11342
   D221       3.08044  -0.00020  -0.00363   0.00206  -0.00157   3.07888
   D222      -0.04826  -0.00021  -0.00478   0.00333  -0.00146  -0.04972
   D223       0.03290  -0.00013  -0.00257   0.00146  -0.00111   0.03179
   D224      -3.09580  -0.00014  -0.00373   0.00273  -0.00101  -3.09680
   D225      -0.00213  -0.00004  -0.00016   0.00020   0.00005  -0.00208
   D226       3.13888   0.00003   0.00028   0.00007   0.00036   3.13924
   D227      -3.13797  -0.00008   0.00045  -0.00055  -0.00010  -3.13807
   D228       0.00304  -0.00001   0.00089  -0.00068   0.00021   0.00325
   D229      -2.77645  -0.00009  -0.02205   0.01461  -0.00745  -2.78389
   D230       1.41712  -0.00021  -0.02307   0.01568  -0.00739   1.40974
   D231      -0.67654   0.00004  -0.02161   0.01396  -0.00765  -0.68419
   D232       0.35923  -0.00005  -0.02268   0.01538  -0.00730   0.35194
   D233      -1.73038  -0.00016  -0.02369   0.01645  -0.00724  -1.73762
   D234       2.45914   0.00009  -0.02223   0.01473  -0.00750   2.45164
   D235      -0.01741   0.00006   0.00134  -0.00069   0.00064  -0.01676
   D236       3.13058   0.00007   0.00143  -0.00090   0.00054   3.13112
   D237       3.11159   0.00005   0.00245  -0.00192   0.00053   3.11212
   D238      -0.02361   0.00007   0.00255  -0.00212   0.00042  -0.02319
   D239       2.80165   0.00003   0.00375  -0.00324   0.00051   2.80216
   D240       0.70449  -0.00010   0.00295  -0.00294   0.00001   0.70450
   D241      -1.38836   0.00008   0.00392  -0.00322   0.00069  -1.38767
   D242      -0.32693   0.00003   0.00259  -0.00197   0.00063  -0.32630
   D243      -2.42409  -0.00009   0.00179  -0.00167   0.00013  -2.42396
   D244       1.76625   0.00008   0.00276  -0.00195   0.00080   1.76706
   D245       0.01732  -0.00005  -0.00106   0.00056  -0.00050   0.01682
   D246      -3.13085   0.00001  -0.00064   0.00049  -0.00015  -3.13101
   D247      -3.12369  -0.00011  -0.00150   0.00069  -0.00081  -3.12450
   D248       0.01132  -0.00006  -0.00108   0.00062  -0.00046   0.01086
   D249      -0.00733   0.00004   0.00045  -0.00031   0.00015  -0.00718
   D250       3.14086  -0.00002   0.00004  -0.00024  -0.00020   3.14066
   D251       3.12783   0.00003   0.00036  -0.00011   0.00026   3.12808
   D252      -0.00717  -0.00003  -0.00006  -0.00003  -0.00009  -0.00726
         Item               Value     Threshold  Converged?
 Maximum Force            0.003714     0.000450     NO 
 RMS     Force            0.000482     0.000300     NO 
 Maximum Displacement     0.130171     0.001800     NO 
 RMS     Displacement     0.027010     0.001200     NO 
 Predicted change in Energy=-1.153943D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.133759   -0.111101   -1.162418
      2          8           0       -2.882094    0.053439   -2.489560
      3          8           0       -3.545626   -2.061831    1.460509
      4          8           0        2.244071    2.175897    2.188881
      5          8           0        3.530370   -1.062666    1.520066
      6          7           0       -3.034430   -2.694597   -0.725866
      7          7           0       -3.194742    0.397216   -0.234510
      8          7           0        2.160771    0.979462    0.224661
      9          7           0       -1.872689   -3.613674    1.202610
     10          6           0       -2.722468    1.761230   -0.170987
     11          6           0       -3.997760   -1.729411   -1.222147
     12          6           0       -1.357328    2.004965   -0.838918
     13          6           0       -0.249687    1.068112   -0.377502
     14          6           0       -4.668251   -2.130990   -2.552023
     15          6           0        1.134927    1.789210   -0.389870
     16          6           0       -2.679464    2.269328    1.286686
     17          6           0       -3.326634   -0.332673   -1.385543
     18          6           0       -1.971572   -3.120773   -1.614249
     19          6           0       -0.628566   -3.353274   -0.926798
     20          6           0        1.494418    2.167583   -1.839859
     21          6           0       -2.826441   -2.736901    0.674600
     22          6           0       -5.751712   -1.123672   -2.888447
     23          6           0       -5.269943   -3.517802   -2.465386
     24          6           0       -0.813591   -4.130624    0.373063
     25          6           0       -4.030874    2.296409    1.908008
     26          6           0        2.768360    2.926430   -1.942120
     27          6           0        2.606120    1.195151    1.505499
     28          6           0       -4.828421    3.442211    1.802418
     29          6           0       -4.511908    1.186265    2.613928
     30          6           0        2.835251    4.254880   -1.503060
     31          6           0        3.908126    2.330217   -2.493320
     32          6           0        3.644224    0.242355    2.097899
     33          6           0       -6.088713    3.478681    2.395819
     34          6           0       -5.773372    1.226993    3.206692
     35          6           0       -6.562561    2.371610    3.099681
     36          6           0        4.023182    4.974186   -1.615514
     37          6           0        5.095722    3.051986   -2.605533
     38          6           0        5.155276    4.374501   -2.167875
     39          6           0        4.747772   -1.657545    1.196541
     40          6           0        4.936918   -2.052330   -0.143369
     41          6           0        5.702386   -1.953936    2.185283
     42          6           0        6.113641   -2.726464   -0.481640
     43          6           0        6.874279   -2.620950    1.807095
     44          6           0        3.916816   -1.772372   -1.179669
     45          6           0        5.490213   -1.594202    3.606430
     46          6           0        7.080261   -3.000255    0.484257
     47          1           0       -3.467440    2.408817   -0.731724
     48          1           0       -4.824167   -1.651513   -0.447089
     49          1           0       -1.487266    1.913565   -1.952101
     50          1           0       -1.064701    3.065333   -0.619238
     51          1           0       -0.461348    0.712837    0.673539
     52          1           0       -3.893412   -2.108318   -3.368537
     53          1           0        1.034136    2.737775    0.219354
     54          1           0       -3.552492    0.007561    0.616749
     55          1           0       -1.989938    1.626461    1.895801
     56          1           0       -2.248086    3.304983    1.275758
     57          1           0       -2.307242   -4.081981   -2.101633
     58          1           0       -1.829807   -2.346569   -2.424248
     59          1           0        0.033190   -3.937713   -1.614618
     60          1           0       -0.128597   -2.367822   -0.723025
     61          1           0        1.542222    1.233644   -2.461738
     62          1           0        0.655947    2.797349   -2.242466
     63          1           0       -6.544631   -1.117552   -2.102465
     64          1           0       -6.223460   -1.391764   -3.864526
     65          1           0       -5.320428   -0.097110   -2.976558
     66          1           0       -5.922217   -3.608998   -1.563552
     67          1           0       -4.475149   -4.299142   -2.405746
     68          1           0       -5.889903   -3.719617   -3.372790
     69          1           0        0.153771   -4.126516    0.950776
     70          1           0       -1.064401   -5.203876    0.128179
     71          1           0        2.334659    0.094390   -0.197129
     72          1           0       -1.670307   -3.471802    2.167347
     73          1           0       -0.760182   -0.060515   -1.897750
     74          1           0       -4.455179    4.317389    1.250462
     75          1           0       -3.899095    0.272676    2.697332
     76          1           0        1.945256    4.727846   -1.062178
     77          1           0        3.867042    1.285934   -2.837323
     78          1           0        3.430261    0.140760    3.195874
     79          1           0        4.661601    0.684161    1.940567
     80          1           0       -6.709026    4.382659    2.310082
     81          1           0       -6.144337    0.350458    3.758136
     82          1           0       -7.556322    2.402115    3.569299
     83          1           0        4.067663    6.016115   -1.266431
     84          1           0        5.986888    2.575751   -3.039444
     85          1           0        6.091937    4.943163   -2.257076
     86          1           0        6.275685   -3.043537   -1.523076
     87          1           0        7.633761   -2.849866    2.569869
     88          1           0        4.043639   -2.449855   -2.059624
     89          1           0        4.013166   -0.714375   -1.535167
     90          1           0        2.886493   -1.918355   -0.768898
     91          1           0        6.153780   -2.196604    4.274682
     92          1           0        4.427616   -1.782029    3.901902
     93          1           0        5.717427   -0.511012    3.772501
     94          1           0        8.005187   -3.522838    0.199443
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0841695      0.0408161      0.0357302
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3235.1982451272 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.246855347370     A.U. after   13 cycles
             Convg  =    0.9734D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000302929    0.001552213    0.000208257
      2        8           0.000136135    0.000576680   -0.000594713
      3        8           0.000136077   -0.000803119    0.000959254
      4        8          -0.000401206   -0.000274622   -0.000421341
      5        8           0.000299961    0.000350269    0.000083856
      6        7           0.000684655    0.001008133   -0.003279506
      7        7           0.000663874    0.001339654    0.000095073
      8        7          -0.000264588   -0.000300736    0.000674396
      9        7           0.001052791   -0.001364091   -0.000419003
     10        6           0.000549809   -0.000388092   -0.000564272
     11        6           0.001167351   -0.000241565   -0.000397818
     12        6           0.000358481    0.000436209   -0.000156728
     13        6          -0.000282640   -0.000293361   -0.000138355
     14        6          -0.000417681    0.000062158    0.000613447
     15        6          -0.000444068   -0.000304483   -0.000083809
     16        6          -0.000196396   -0.000011601    0.000314518
     17        6          -0.000018013   -0.000535985    0.001053663
     18        6          -0.000067281    0.000483731   -0.000133146
     19        6           0.000015671    0.000249250   -0.000148056
     20        6           0.000213329    0.000475137   -0.000066173
     21        6          -0.002062429   -0.001027397    0.001752989
     22        6           0.000170825    0.000020693   -0.000015268
     23        6           0.000101812    0.000180063    0.000212283
     24        6          -0.000898603    0.000666625   -0.000111651
     25        6           0.000543543    0.000304060   -0.000121001
     26        6          -0.000185688    0.000130099   -0.000242907
     27        6           0.000604635    0.000506472    0.000182187
     28        6           0.000172158    0.000145244   -0.000068757
     29        6          -0.000510462   -0.000184381    0.000103636
     30        6           0.000127201   -0.000042805    0.000100245
     31        6           0.000045928   -0.000057694   -0.000037492
     32        6           0.000228193   -0.000237747    0.000417446
     33        6           0.000011232    0.000082121   -0.000062417
     34        6           0.000219346   -0.000121034    0.000146914
     35        6          -0.000183595    0.000019303   -0.000087837
     36        6           0.000009807    0.000041690    0.000082524
     37        6          -0.000061268    0.000036583   -0.000066852
     38        6           0.000003163    0.000007358    0.000035836
     39        6          -0.000361440   -0.000772052    0.000448287
     40        6          -0.000592974    0.000329432   -0.000498407
     41        6           0.000997097    0.000126323   -0.000395668
     42        6           0.000818065    0.000012525    0.000023706
     43        6          -0.000586107    0.000357549   -0.000355203
     44        6           0.000153265   -0.000009751   -0.000358034
     45        6          -0.000253385   -0.000070098    0.000320378
     46        6          -0.000553933   -0.000041898    0.000455622
     47        1          -0.000178977   -0.000481740    0.000372576
     48        1           0.000403722   -0.000249169   -0.000080583
     49        1           0.000026387    0.000090777    0.000306079
     50        1          -0.000080391    0.000082585   -0.000134335
     51        1           0.000160446   -0.000336109    0.000025069
     52        1           0.000115156   -0.000274175   -0.000055599
     53        1          -0.000199238   -0.000004445    0.000050350
     54        1           0.000123374   -0.001206569    0.000942521
     55        1           0.000224041    0.000155232   -0.000240906
     56        1          -0.000249849   -0.000390670   -0.000060670
     57        1          -0.000129913   -0.000003513    0.000059983
     58        1          -0.000428050   -0.000241248   -0.000012225
     59        1          -0.000020020    0.000139959    0.000073960
     60        1          -0.000173007    0.000095817   -0.000014616
     61        1          -0.000037869    0.000141154    0.000040600
     62        1          -0.000118274    0.000064721    0.000029352
     63        1          -0.000049427    0.000029711   -0.000056700
     64        1          -0.000037362    0.000049174    0.000038851
     65        1           0.000065190   -0.000105270   -0.000114167
     66        1          -0.000096993   -0.000024448   -0.000028872
     67        1           0.000047042   -0.000011778    0.000034907
     68        1          -0.000056520   -0.000057068    0.000001249
     69        1          -0.000031794    0.000080536   -0.000059394
     70        1           0.000087215    0.000024536    0.000090143
     71        1           0.000361080   -0.000274450    0.000195863
     72        1          -0.000097535    0.000476421    0.000343403
     73        1          -0.000238038   -0.000797740    0.000069588
     74        1          -0.000156177   -0.000059509   -0.000041619
     75        1           0.000130973    0.000412048   -0.000613638
     76        1          -0.000053920    0.000012669   -0.000032916
     77        1           0.000051290    0.000026965    0.000079510
     78        1           0.000351107    0.000144031   -0.000100066
     79        1          -0.000000838    0.000029964   -0.000180471
     80        1          -0.000077858   -0.000046750   -0.000005973
     81        1           0.000043625    0.000134811    0.000004273
     82        1          -0.000004901    0.000064743    0.000001555
     83        1          -0.000015163   -0.000013353   -0.000074487
     84        1           0.000020154   -0.000040218    0.000057891
     85        1           0.000019046   -0.000040838   -0.000036868
     86        1          -0.000151468   -0.000032078   -0.000036125
     87        1           0.000150459    0.000006353    0.000075121
     88        1           0.000038903   -0.000152207    0.000048009
     89        1          -0.000244060    0.000190754   -0.000117842
     90        1          -0.000090050    0.000128633   -0.000227794
     91        1          -0.000007659   -0.000071928    0.000010377
     92        1          -0.000217487    0.000006831    0.000008991
     93        1          -0.000194895   -0.000058187   -0.000048402
     94        1           0.000178799   -0.000032028   -0.000046054
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003279506 RMS     0.000433594

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003479607 RMS     0.000376927
 Search for a local minimum.
 Step number  27 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   26   27
 DE= -1.97D-04 DEPred=-1.15D-04 R= 1.71D+00
 SS=  1.41D+00  RLast= 1.31D-01 DXNew= 1.9854D+00 3.9317D-01
 Trust test= 1.71D+00 RLast= 1.31D-01 DXMaxT set to 1.18D+00
     Eigenvalues ---    0.00038   0.00193   0.00220   0.00234   0.00246
     Eigenvalues ---    0.00257   0.00296   0.00329   0.00391   0.00405
     Eigenvalues ---    0.00457   0.00486   0.00521   0.00547   0.00558
     Eigenvalues ---    0.00656   0.00677   0.00764   0.00941   0.01222
     Eigenvalues ---    0.01325   0.01355   0.01381   0.01401   0.01442
     Eigenvalues ---    0.01466   0.01498   0.01529   0.01602   0.01731
     Eigenvalues ---    0.02007   0.02014   0.02082   0.02115   0.02128
     Eigenvalues ---    0.02142   0.02150   0.02151   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02185   0.02187
     Eigenvalues ---    0.02188   0.02192   0.02285   0.02319   0.02365
     Eigenvalues ---    0.02553   0.02827   0.03040   0.03227   0.03552
     Eigenvalues ---    0.03714   0.03801   0.03963   0.04017   0.04203
     Eigenvalues ---    0.04282   0.04389   0.04483   0.04691   0.04706
     Eigenvalues ---    0.04797   0.04951   0.05006   0.05065   0.05110
     Eigenvalues ---    0.05320   0.05395   0.05442   0.05486   0.05568
     Eigenvalues ---    0.05587   0.05627   0.05631   0.05666   0.05930
     Eigenvalues ---    0.05979   0.06319   0.06779   0.06915   0.07126
     Eigenvalues ---    0.07133   0.07212   0.07364   0.07414   0.07530
     Eigenvalues ---    0.07793   0.08003   0.08305   0.08703   0.09182
     Eigenvalues ---    0.09338   0.09541   0.09718   0.10937   0.11574
     Eigenvalues ---    0.12146   0.12555   0.12862   0.12951   0.14037
     Eigenvalues ---    0.14130   0.15511   0.15879   0.15948   0.15967
     Eigenvalues ---    0.15992   0.15996   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16002   0.16003   0.16007   0.16012   0.16025
     Eigenvalues ---    0.16060   0.16142   0.16192   0.16409   0.16577
     Eigenvalues ---    0.16820   0.17714   0.17910   0.18979   0.19248
     Eigenvalues ---    0.19935   0.20428   0.20978   0.21223   0.21885
     Eigenvalues ---    0.21968   0.21999   0.22000   0.22002   0.22009
     Eigenvalues ---    0.22141   0.22439   0.22691   0.23200   0.23341
     Eigenvalues ---    0.23421   0.23500   0.23689   0.23928   0.24564
     Eigenvalues ---    0.24733   0.24833   0.24943   0.25011   0.25041
     Eigenvalues ---    0.25193   0.25550   0.25620   0.26110   0.26876
     Eigenvalues ---    0.26957   0.27507   0.27839   0.27917   0.28281
     Eigenvalues ---    0.28595   0.28930   0.29232   0.29739   0.30032
     Eigenvalues ---    0.30123   0.30851   0.31163   0.32167   0.32436
     Eigenvalues ---    0.33037   0.33599   0.34269   0.34428   0.34477
     Eigenvalues ---    0.34536   0.34593   0.34636   0.34660   0.34682
     Eigenvalues ---    0.34701   0.34712   0.34723   0.34740   0.34745
     Eigenvalues ---    0.34751   0.34758   0.34762   0.34776   0.34781
     Eigenvalues ---    0.34790   0.34802   0.34806   0.34815   0.34830
     Eigenvalues ---    0.34830   0.34847   0.34869   0.34887   0.34952
     Eigenvalues ---    0.35089   0.35279   0.35607   0.35846   0.35889
     Eigenvalues ---    0.35920   0.35934   0.35946   0.35968   0.35985
     Eigenvalues ---    0.35991   0.36001   0.36007   0.36026   0.36034
     Eigenvalues ---    0.36063   0.37061   0.37584   0.38103   0.40214
     Eigenvalues ---    0.40781   0.40961   0.42227   0.42278   0.42347
     Eigenvalues ---    0.42561   0.42866   0.43273   0.44927   0.45013
     Eigenvalues ---    0.45764   0.46070   0.46133   0.46140   0.46216
     Eigenvalues ---    0.46339   0.46474   0.46633   0.46699   0.46767
     Eigenvalues ---    0.46833   0.46957   0.47372   0.47484   0.49303
     Eigenvalues ---    0.50120   0.54415   0.56319   0.58166   0.59607
     Eigenvalues ---    0.62258   0.77729   0.89924   0.90940   0.94033
     Eigenvalues ---    0.978641000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    27   26   25   24   23
 RFO step:  Lambda=-1.28707573D-04.
 DIIS coeffs:      1.03712     -0.75356      0.85566      0.69658     -0.83580
 Iteration  1 RMS(Cart)=  0.11632856 RMS(Int)=  0.00199192
 Iteration  2 RMS(Cart)=  0.00465019 RMS(Int)=  0.00013151
 Iteration  3 RMS(Cart)=  0.00002015 RMS(Int)=  0.00013032
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00013032
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68586   0.00011   0.00083  -0.00251  -0.00168   2.68418
    R2        1.82794   0.00021   0.00011  -0.00080  -0.00069   1.82725
    R3        2.36446  -0.00080  -0.00044  -0.00036  -0.00080   2.36366
    R4        2.38330  -0.00112  -0.00016  -0.00018  -0.00034   2.38296
    R5        2.36023   0.00054   0.00043  -0.00070  -0.00028   2.35996
    R6        2.70563  -0.00068  -0.00021   0.00062   0.00041   2.70604
    R7        2.63250  -0.00092   0.00026  -0.00026   0.00000   2.63250
    R8        2.74231  -0.00197   0.00001  -0.00272  -0.00272   2.73959
    R9        2.73881  -0.00091   0.00148  -0.00327  -0.00157   2.73725
   R10        2.67672  -0.00348  -0.00003  -0.00925  -0.00920   2.66752
   R11        2.73038   0.00016   0.00090  -0.00206  -0.00117   2.72921
   R12        2.58762  -0.00020   0.00081   0.00060   0.00141   2.58903
   R13        1.89393  -0.00140  -0.00144   0.00015  -0.00128   1.89265
   R14        2.72913   0.00024  -0.00029  -0.00011  -0.00040   2.72873
   R15        2.59478   0.00078   0.00049  -0.00095  -0.00046   2.59432
   R16        1.88168   0.00032   0.00009   0.00002   0.00011   1.88178
   R17        2.64371   0.00023  -0.00472   0.01706   0.01220   2.65591
   R18        2.72348  -0.00105  -0.00428   0.00828   0.00377   2.72726
   R19        1.88197  -0.00020  -0.00233   0.00762   0.00529   1.88726
   R20        2.90867  -0.00120   0.00051   0.00023   0.00074   2.90942
   R21        2.91828   0.00084  -0.00092  -0.00116  -0.00208   2.91620
   R22        2.14530   0.00028   0.00059  -0.00036   0.00023   2.14553
   R23        2.91496   0.00064   0.00151  -0.00243  -0.00092   2.91404
   R24        2.94457  -0.00121  -0.00122   0.00143   0.00021   2.94478
   R25        2.14609  -0.00030  -0.00022   0.00026   0.00003   2.14613
   R26        2.87677  -0.00103   0.00086  -0.00234  -0.00149   2.87529
   R27        2.12492   0.00021   0.00041   0.00028   0.00070   2.12562
   R28        2.11975   0.00008  -0.00007   0.00025   0.00018   2.11993
   R29        2.95021  -0.00037   0.00047   0.00061   0.00107   2.95128
   R30        2.13439  -0.00021  -0.00031  -0.00017  -0.00048   2.13392
   R31        2.86701  -0.00013  -0.00015  -0.00013  -0.00028   2.86673
   R32        2.86141   0.00019  -0.00070   0.00148   0.00078   2.86219
   R33        2.12759   0.00024   0.00036  -0.00067  -0.00032   2.12727
   R34        2.91218  -0.00065  -0.00016   0.00086   0.00070   2.91288
   R35        2.13889   0.00003   0.00031  -0.00061  -0.00030   2.13860
   R36        2.81124   0.00067  -0.00058  -0.00050  -0.00108   2.81016
   R37        2.12100   0.00029   0.00030   0.00005   0.00035   2.12135
   R38        2.12019   0.00040   0.00066   0.00001   0.00067   2.12086
   R39        2.88473  -0.00036   0.00017   0.00164   0.00192   2.88665
   R40        2.13308   0.00003   0.00029  -0.00043  -0.00014   2.13294
   R41        2.13429   0.00044   0.00074   0.00024   0.00098   2.13527
   R42        2.88339  -0.00019   0.00071  -0.00241  -0.00176   2.88163
   R43        2.11496  -0.00002   0.00001  -0.00001   0.00000   2.11496
   R44        2.12341  -0.00002  -0.00002   0.00032   0.00029   2.12370
   R45        2.80879  -0.00001  -0.00041   0.00019  -0.00022   2.80858
   R46        2.12227   0.00004   0.00013   0.00000   0.00013   2.12240
   R47        2.12267   0.00012   0.00035  -0.00033   0.00002   2.12269
   R48        2.10984   0.00006   0.00018  -0.00002   0.00016   2.11000
   R49        2.11037   0.00005   0.00011   0.00015   0.00026   2.11063
   R50        2.11075   0.00012   0.00026  -0.00023   0.00003   2.11077
   R51        2.11031   0.00000   0.00008  -0.00001   0.00007   2.11038
   R52        2.10918   0.00006   0.00008  -0.00021  -0.00013   2.10905
   R53        2.11148   0.00003   0.00020  -0.00031  -0.00011   2.11137
   R54        2.12924  -0.00002   0.00017  -0.00008   0.00009   2.12933
   R55        2.13359   0.00011   0.00052  -0.00078  -0.00026   2.13332
   R56        2.64568   0.00022   0.00013  -0.00024  -0.00011   2.64557
   R57        2.64706   0.00020  -0.00053   0.00037  -0.00016   2.64690
   R58        2.64699  -0.00007  -0.00014  -0.00004  -0.00018   2.64680
   R59        2.64451   0.00010   0.00005  -0.00013  -0.00008   2.64442
   R60        2.88851  -0.00001  -0.00066   0.00147   0.00081   2.88933
   R61        2.63330   0.00011  -0.00004   0.00028   0.00024   2.63353
   R62        2.07861   0.00012   0.00021  -0.00008   0.00013   2.07875
   R63        2.63501  -0.00001   0.00011  -0.00034  -0.00023   2.63478
   R64        2.08482  -0.00006  -0.00046   0.00024  -0.00022   2.08460
   R65        2.63292   0.00000   0.00001  -0.00001   0.00000   2.63292
   R66        2.07884   0.00006   0.00016  -0.00008   0.00008   2.07892
   R67        2.63475   0.00001   0.00000   0.00008   0.00008   2.63482
   R68        2.07917   0.00010   0.00015   0.00000   0.00016   2.07933
   R69        2.12260   0.00025   0.00044   0.00007   0.00051   2.12311
   R70        2.11700   0.00002   0.00021  -0.00064  -0.00043   2.11657
   R71        2.63585  -0.00008   0.00014  -0.00031  -0.00017   2.63568
   R72        2.07811   0.00008   0.00012  -0.00007   0.00005   2.07816
   R73        2.63508   0.00008   0.00002   0.00015   0.00018   2.63526
   R74        2.07872   0.00014   0.00016  -0.00002   0.00014   2.07885
   R75        2.07787   0.00006   0.00005   0.00004   0.00008   2.07795
   R76        2.63640   0.00000  -0.00002   0.00006   0.00004   2.63643
   R77        2.07823   0.00007   0.00013  -0.00005   0.00008   2.07831
   R78        2.63489  -0.00002  -0.00001  -0.00005  -0.00006   2.63483
   R79        2.07806   0.00006   0.00012  -0.00008   0.00005   2.07810
   R80        2.07755   0.00006   0.00008   0.00001   0.00010   2.07765
   R81        2.66377  -0.00138  -0.00072   0.00017  -0.00055   2.66322
   R82        2.65689  -0.00028   0.00060  -0.00019   0.00041   2.65731
   R83        2.64127   0.00027   0.00054  -0.00014   0.00041   2.64167
   R84        2.79839  -0.00024  -0.00107   0.00052  -0.00054   2.79785
   R85        2.64647  -0.00046  -0.00071   0.00053  -0.00017   2.64630
   R86        2.79915  -0.00039  -0.00070   0.00042  -0.00027   2.79887
   R87        2.63362  -0.00014  -0.00045   0.00052   0.00006   2.63369
   R88        2.07989  -0.00001   0.00002  -0.00004  -0.00002   2.07986
   R89        2.62951   0.00055   0.00094  -0.00063   0.00031   2.62981
   R90        2.07959   0.00009   0.00015  -0.00012   0.00003   2.07962
   R91        2.11226   0.00008  -0.00011   0.00062   0.00051   2.11277
   R92        2.11702   0.00005   0.00019  -0.00044  -0.00025   2.11676
   R93        2.11414   0.00017   0.00040  -0.00009   0.00031   2.11445
   R94        2.11258  -0.00002  -0.00007   0.00002  -0.00005   2.11253
   R95        2.11421   0.00011   0.00023  -0.00006   0.00017   2.11438
   R96        2.11489   0.00015   0.00036  -0.00021   0.00015   2.11505
   R97        2.07844   0.00014   0.00026  -0.00020   0.00006   2.07850
    A1        1.90034  -0.00032  -0.00483   0.00184  -0.00299   1.89734
    A2        1.99705  -0.00061  -0.00045   0.00027  -0.00018   1.99687
    A3        2.06323   0.00005  -0.00227   0.00868   0.00568   2.06891
    A4        2.04369  -0.00076   0.00078   0.00961   0.00968   2.05337
    A5        2.08241   0.00070   0.00357   0.00325   0.00649   2.08890
    A6        2.17931  -0.00082  -0.00355  -0.00081  -0.00438   2.17493
    A7        2.03350   0.00084   0.00132   0.00149   0.00279   2.03629
    A8        2.06275   0.00000   0.00197   0.00083   0.00278   2.06554
    A9        2.14033  -0.00044  -0.00232   0.00377   0.00143   2.14176
   A10        2.02882   0.00036   0.00225  -0.00228  -0.00005   2.02877
   A11        2.06930   0.00007   0.00052   0.00045   0.00095   2.07026
   A12        2.10430  -0.00036   0.01083  -0.01752  -0.00578   2.09852
   A13        1.99860   0.00012   0.02070  -0.03153  -0.00905   1.98955
   A14        2.04806   0.00035   0.02010  -0.03201  -0.01023   2.03783
   A15        2.00459  -0.00149  -0.00151  -0.00033  -0.00184   2.00275
   A16        1.94036   0.00142   0.00053   0.00049   0.00102   1.94138
   A17        1.87791   0.00006  -0.00007   0.00028   0.00020   1.87812
   A18        1.91008   0.00017   0.00134  -0.00013   0.00121   1.91128
   A19        1.85182   0.00009  -0.00127  -0.00059  -0.00186   1.84997
   A20        1.87216  -0.00026   0.00102   0.00028   0.00130   1.87346
   A21        1.99351   0.00071   0.00057  -0.00006   0.00051   1.99402
   A22        1.92425  -0.00042   0.00040  -0.00597  -0.00558   1.91867
   A23        1.87055  -0.00041  -0.00106   0.00363   0.00256   1.87311
   A24        1.90728  -0.00003  -0.00167   0.00405   0.00238   1.90966
   A25        1.86496   0.00021   0.00095   0.00079   0.00174   1.86670
   A26        1.90022  -0.00008   0.00090  -0.00240  -0.00150   1.89872
   A27        2.00021  -0.00069   0.00024   0.00362   0.00386   2.00407
   A28        1.89045   0.00002  -0.00062  -0.00313  -0.00374   1.88671
   A29        1.87138   0.00028  -0.00007   0.00257   0.00250   1.87388
   A30        1.91146   0.00004  -0.00369   0.00150  -0.00219   1.90927
   A31        1.90983   0.00039   0.00364  -0.00695  -0.00333   1.90651
   A32        1.87639  -0.00001   0.00060   0.00243   0.00303   1.87942
   A33        1.98510  -0.00069  -0.00770   0.00438  -0.00333   1.98177
   A34        1.88232   0.00084  -0.00484   0.01732   0.01249   1.89480
   A35        1.84234  -0.00006   0.01045  -0.02161  -0.01118   1.83116
   A36        1.93762  -0.00031   0.00150  -0.00320  -0.00169   1.93593
   A37        1.91695   0.00030   0.00100   0.00117   0.00215   1.91910
   A38        1.89533  -0.00004   0.00015   0.00127   0.00143   1.89676
   A39        1.90577  -0.00031  -0.00125   0.00409   0.00285   1.90861
   A40        1.94103   0.00035   0.00113  -0.00308  -0.00195   1.93908
   A41        1.89743  -0.00010  -0.00102   0.00175   0.00073   1.89817
   A42        1.91453   0.00000   0.00070  -0.00169  -0.00099   1.91354
   A43        1.89367   0.00011   0.00007   0.00007   0.00015   1.89382
   A44        1.91072  -0.00005   0.00032  -0.00104  -0.00072   1.91000
   A45        1.94726   0.00025   0.00229  -0.00521  -0.00291   1.94435
   A46        1.95232   0.00016   0.00087  -0.00056   0.00031   1.95263
   A47        1.87980  -0.00006  -0.00126   0.00024  -0.00102   1.87878
   A48        1.90472  -0.00044   0.00032   0.00136   0.00168   1.90640
   A49        1.87953  -0.00001  -0.00292   0.00613   0.00321   1.88274
   A50        1.89806   0.00010   0.00049  -0.00164  -0.00115   1.89690
   A51        1.95511   0.00146  -0.00002   0.00211   0.00210   1.95721
   A52        1.91869   0.00010   0.00003  -0.00029  -0.00026   1.91842
   A53        1.88097  -0.00091  -0.00050  -0.00086  -0.00136   1.87961
   A54        1.91968  -0.00066   0.00011  -0.00234  -0.00223   1.91745
   A55        1.91404  -0.00028  -0.00012   0.00029   0.00017   1.91421
   A56        1.87317   0.00023   0.00051   0.00109   0.00160   1.87477
   A57        2.14479   0.00027  -0.00147   0.00218   0.00071   2.14550
   A58        2.12018   0.00092   0.00047   0.00088   0.00136   2.12154
   A59        2.01655  -0.00120   0.00074  -0.00276  -0.00202   2.01454
   A60        1.99756  -0.00052   0.00256  -0.00682  -0.00393   1.99363
   A61        1.87233   0.00008  -0.00158   0.00808   0.00643   1.87876
   A62        1.90719   0.00002  -0.00022  -0.00294  -0.00329   1.90391
   A63        1.90326   0.00020  -0.00033   0.00037  -0.00007   1.90319
   A64        1.89330   0.00032   0.00035   0.00091   0.00117   1.89447
   A65        1.88745  -0.00010  -0.00098   0.00080  -0.00013   1.88731
   A66        1.93323  -0.00003   0.00026  -0.00005   0.00023   1.93346
   A67        1.89966  -0.00001   0.00039  -0.00094  -0.00051   1.89914
   A68        1.91723  -0.00009   0.00005  -0.00249  -0.00248   1.91476
   A69        1.90627   0.00004  -0.00068   0.00087   0.00016   1.90642
   A70        1.92438   0.00000  -0.00047   0.00170   0.00125   1.92563
   A71        1.88213   0.00008   0.00045   0.00092   0.00137   1.88350
   A72        1.97146  -0.00011  -0.00009  -0.00044  -0.00053   1.97093
   A73        1.90367  -0.00004   0.00058   0.00135   0.00192   1.90559
   A74        1.87630  -0.00001  -0.00046   0.00183   0.00137   1.87767
   A75        1.92836   0.00014   0.00098  -0.00288  -0.00190   1.92646
   A76        1.90592   0.00006  -0.00034   0.00046   0.00012   1.90603
   A77        1.87501  -0.00003  -0.00075  -0.00018  -0.00093   1.87408
   A78        2.11343  -0.00082   0.00033  -0.00091  -0.00053   2.11291
   A79        2.08177   0.00047   0.00060   0.00050   0.00115   2.08293
   A80        2.08516   0.00035  -0.00012  -0.00036  -0.00057   2.08459
   A81        1.93340   0.00007   0.00034  -0.00067  -0.00033   1.93308
   A82        1.91356   0.00006   0.00044  -0.00079  -0.00035   1.91321
   A83        1.93046  -0.00018  -0.00089   0.00118   0.00029   1.93076
   A84        1.89295  -0.00004  -0.00013   0.00064   0.00050   1.89346
   A85        1.90151   0.00002  -0.00010   0.00006  -0.00005   1.90146
   A86        1.89104   0.00007   0.00036  -0.00042  -0.00006   1.89098
   A87        1.93168  -0.00009  -0.00037  -0.00003  -0.00041   1.93127
   A88        1.94040   0.00006   0.00001  -0.00019  -0.00018   1.94022
   A89        1.91712  -0.00011  -0.00041   0.00015  -0.00026   1.91686
   A90        1.89190   0.00006   0.00049  -0.00013   0.00036   1.89226
   A91        1.89336   0.00006   0.00020  -0.00018   0.00003   1.89338
   A92        1.88816   0.00003   0.00011   0.00038   0.00049   1.88865
   A93        1.97874  -0.00020  -0.00576   0.00996   0.00383   1.98257
   A94        1.91186  -0.00004  -0.00219   0.00333   0.00129   1.91315
   A95        1.87818   0.00012   0.00730  -0.01288  -0.00550   1.87268
   A96        1.90798   0.00010   0.00128  -0.00192  -0.00054   1.90744
   A97        1.90334   0.00007   0.00006   0.00102   0.00119   1.90453
   A98        1.88115  -0.00004  -0.00041  -0.00008  -0.00053   1.88062
   A99        2.09543  -0.00042   0.00013  -0.00057  -0.00044   2.09499
   A100       2.10367   0.00087   0.00022   0.00057   0.00079   2.10446
   A101       2.08403  -0.00045  -0.00033  -0.00002  -0.00035   2.08367
   A102       2.09852   0.00010   0.00044  -0.00030   0.00014   2.09866
   A103       2.10326  -0.00006  -0.00030  -0.00003  -0.00034   2.10292
   A104       2.08132  -0.00004  -0.00015   0.00036   0.00020   2.08152
   A105       2.14090  -0.00014  -0.00126   0.00122  -0.00004   2.14085
   A106       2.06495   0.00028  -0.00045   0.00106   0.00061   2.06556
   A107       2.07588  -0.00015   0.00168  -0.00214  -0.00046   2.07542
   A108       2.09962   0.00026   0.00015   0.00015   0.00030   2.09992
   A109       2.08945  -0.00001   0.00010   0.00023   0.00033   2.08978
   A110       2.09411  -0.00025  -0.00025  -0.00038  -0.00063   2.09348
   A111       2.09643   0.00021   0.00043  -0.00022   0.00020   2.09663
   A112       2.09860   0.00035  -0.00005   0.00069   0.00064   2.09924
   A113       2.08813  -0.00056  -0.00036  -0.00046  -0.00083   2.08730
   A114       2.10023   0.00003   0.00013  -0.00030  -0.00017   2.10006
   A115       2.08834   0.00001   0.00000   0.00030   0.00031   2.08864
   A116       2.09460  -0.00003  -0.00013   0.00000  -0.00014   2.09446
   A117       2.10005   0.00000   0.00004  -0.00009  -0.00005   2.10000
   A118       2.09106   0.00001  -0.00007   0.00025   0.00018   2.09124
   A119       2.09207  -0.00001   0.00003  -0.00016  -0.00013   2.09194
   A120       1.93665  -0.00100  -0.00037   0.00042   0.00005   1.93669
   A121       1.87226   0.00004   0.00040  -0.00144  -0.00104   1.87122
   A122       1.95520   0.00042   0.00067   0.00001   0.00068   1.95588
   A123       1.88163   0.00074   0.00077  -0.00002   0.00076   1.88239
   A124       1.89285   0.00001  -0.00046   0.00046   0.00000   1.89284
   A125       1.92404  -0.00020  -0.00100   0.00056  -0.00044   1.92361
   A126       2.09597   0.00002   0.00008  -0.00016  -0.00008   2.09589
   A127       2.09264  -0.00005  -0.00022   0.00013  -0.00009   2.09255
   A128       2.09458   0.00003   0.00014   0.00003   0.00017   2.09474
   A129       2.09828   0.00009  -0.00010   0.00025   0.00016   2.09844
   A130       2.08855  -0.00003   0.00017  -0.00017   0.00000   2.08855
   A131       2.09636  -0.00007  -0.00008  -0.00008  -0.00016   2.09620
   A132       2.09205  -0.00014  -0.00023  -0.00001  -0.00023   2.09181
   A133       2.09501   0.00010   0.00026  -0.00003   0.00023   2.09524
   A134       2.09613   0.00003  -0.00003   0.00003   0.00000   2.09613
   A135       2.09660   0.00002   0.00004   0.00003   0.00007   2.09667
   A136       2.09207  -0.00001  -0.00004   0.00004   0.00000   2.09207
   A137       2.09451  -0.00001   0.00000  -0.00006  -0.00007   2.09444
   A138       2.09686   0.00001   0.00009  -0.00017  -0.00008   2.09678
   A139       2.09191  -0.00002  -0.00006   0.00001  -0.00005   2.09187
   A140       2.09441   0.00001  -0.00003   0.00016   0.00013   2.09453
   A141       2.09131  -0.00003  -0.00015   0.00017   0.00002   2.09133
   A142       2.09571   0.00000   0.00005  -0.00013  -0.00008   2.09564
   A143       2.09617   0.00002   0.00010  -0.00004   0.00006   2.09622
   A144       2.04611  -0.00092  -0.00015   0.00182   0.00168   2.04779
   A145       2.11771   0.00011  -0.00105  -0.00073  -0.00178   2.11594
   A146       2.11569   0.00081   0.00102  -0.00092   0.00010   2.11579
   A147       2.06929  -0.00012  -0.00021   0.00023   0.00002   2.06931
   A148       2.11744  -0.00097  -0.00214   0.00311   0.00097   2.11840
   A149       2.09644   0.00109   0.00235  -0.00333  -0.00099   2.09545
   A150       2.06992  -0.00036  -0.00071   0.00079   0.00009   2.07001
   A151       2.12499  -0.00079  -0.00184   0.00053  -0.00131   2.12368
   A152       2.08820   0.00115   0.00257  -0.00134   0.00123   2.08942
   A153       2.10708  -0.00031  -0.00056   0.00039  -0.00017   2.10691
   A154       2.08507   0.00002  -0.00044   0.00088   0.00045   2.08552
   A155       2.09103   0.00029   0.00099  -0.00127  -0.00028   2.09075
   A156       2.10648  -0.00013  -0.00007  -0.00017  -0.00024   2.10624
   A157       2.08220   0.00019   0.00078  -0.00085  -0.00007   2.08213
   A158       2.09448  -0.00006  -0.00071   0.00103   0.00032   2.09480
   A159       1.93711   0.00002   0.00065  -0.00148  -0.00084   1.93627
   A160       1.91917   0.00019   0.00074  -0.00049   0.00025   1.91942
   A161       1.93136  -0.00024  -0.00195   0.00243   0.00048   1.93184
   A162       1.88897   0.00001   0.00053  -0.00074  -0.00021   1.88876
   A163       1.89068   0.00019   0.00147  -0.00207  -0.00060   1.89008
   A164       1.89542  -0.00018  -0.00143   0.00235   0.00093   1.89635
   A165       1.93651   0.00003   0.00038  -0.00026   0.00012   1.93663
   A166       1.92693  -0.00009  -0.00016  -0.00030  -0.00046   1.92647
   A167       1.92660  -0.00010  -0.00084   0.00054  -0.00030   1.92630
   A168       1.89170   0.00014   0.00086  -0.00013   0.00073   1.89242
   A169       1.88844   0.00008   0.00039   0.00000   0.00039   1.88883
   A170       1.89244  -0.00005  -0.00061   0.00016  -0.00046   1.89198
   A171       2.09747   0.00011   0.00064  -0.00044   0.00020   2.09766
   A172       2.09109   0.00007   0.00049  -0.00110  -0.00061   2.09048
   A173       2.09461  -0.00018  -0.00112   0.00154   0.00042   2.09503
    D1        0.06945   0.00040  -0.17207   0.38321   0.21111   0.28055
    D2       -2.08757   0.00064  -0.16526   0.37152   0.20626  -1.88131
    D3        2.17214   0.00032  -0.16827   0.37264   0.20441   2.37654
    D4        2.39099  -0.00055   0.00761  -0.01631  -0.00870   2.38228
    D5       -1.84102  -0.00019   0.00857  -0.01696  -0.00839  -1.84940
    D6        0.27264  -0.00015   0.00801  -0.01721  -0.00920   0.26344
    D7       -2.14395   0.00032   0.01444  -0.00710   0.00734  -2.13660
    D8        1.08853   0.00028   0.01658  -0.00925   0.00733   1.09586
    D9        0.93036  -0.00041   0.00024  -0.01759  -0.01742   0.91294
   D10       -1.22502  -0.00058   0.00172  -0.01823  -0.01658  -1.24160
   D11        2.99248  -0.00001   0.00105  -0.01419  -0.01322   2.97926
   D12       -2.66551  -0.00024   0.00538   0.03211   0.03756  -2.62795
   D13        1.46229  -0.00040   0.00686   0.03147   0.03840   1.50069
   D14       -0.60340   0.00016   0.00619   0.03551   0.04177  -0.56163
   D15        2.50208  -0.00005   0.00397   0.04446   0.04843   2.55051
   D16       -1.66709  -0.00006   0.00403   0.04638   0.05044  -1.61664
   D17        0.37521  -0.00011   0.00189   0.05023   0.05208   0.42730
   D18       -0.17496   0.00017  -0.00049  -0.00809  -0.00853  -0.18349
   D19        1.93906   0.00015  -0.00043  -0.00617  -0.00652   1.93254
   D20       -2.30183   0.00010  -0.00257  -0.00232  -0.00488  -2.30671
   D21        0.12261  -0.00016   0.01436  -0.06547  -0.05115   0.07146
   D22       -3.10015  -0.00018   0.02624  -0.07649  -0.05028   3.13275
   D23        2.80474  -0.00017   0.01790  -0.01372   0.00428   2.80902
   D24       -0.41802  -0.00019   0.02979  -0.02473   0.00515  -0.41287
   D25       -0.94645   0.00052  -0.01102   0.01197   0.00095  -0.94550
   D26       -3.12713   0.00029  -0.01209   0.01201  -0.00008  -3.12721
   D27        1.11088  -0.00022  -0.01358   0.01123  -0.00235   1.10853
   D28        2.33035   0.00036  -0.00881  -0.00148  -0.01029   2.32006
   D29        0.14967   0.00012  -0.00987  -0.00145  -0.01132   0.13835
   D30       -1.89551  -0.00039  -0.01136  -0.00222  -0.01358  -1.90909
   D31        0.17010   0.00019   0.00209  -0.01281  -0.01072   0.15938
   D32       -3.03268   0.00011  -0.00263  -0.00719  -0.00982  -3.04250
   D33       -3.10878   0.00042  -0.00022   0.00090   0.00068  -3.10810
   D34       -0.02837   0.00034  -0.00493   0.00651   0.00158  -0.02680
   D35       -1.76947  -0.00004   0.02388  -0.04788  -0.02400  -1.79348
   D36        2.37446   0.00024   0.02116  -0.04544  -0.02429   2.35017
   D37        0.28968   0.00006   0.02086  -0.04325  -0.02239   0.26729
   D38        1.05021  -0.00005   0.02553  -0.04112  -0.01559   1.03463
   D39       -1.08904   0.00022   0.02281  -0.03868  -0.01587  -1.10491
   D40        3.10937   0.00004   0.02251  -0.03649  -0.01398   3.09539
   D41       -0.11363  -0.00018  -0.00550   0.01157   0.00607  -0.10756
   D42        3.08714  -0.00004  -0.00489   0.00867   0.00378   3.09092
   D43       -2.92623  -0.00021  -0.00747   0.00511  -0.00237  -2.92860
   D44        0.27453  -0.00008  -0.00687   0.00221  -0.00465   0.26988
   D45       -2.85792  -0.00013  -0.03777   0.04146   0.00389  -2.85403
   D46        0.36336  -0.00005  -0.04942   0.05233   0.00311   0.36647
   D47       -0.26035   0.00021   0.07702  -0.12094  -0.04407  -0.30442
   D48        2.96093   0.00030   0.06538  -0.11007  -0.04485   2.91608
   D49        0.27858   0.00020   0.03712  -0.04414  -0.00719   0.27139
   D50        2.41487   0.00016   0.03320  -0.03725  -0.00426   2.41061
   D51       -1.82776   0.00016   0.03563  -0.04276  -0.00727  -1.83504
   D52       -2.30419  -0.00008  -0.08094   0.12237   0.04164  -2.26256
   D53       -0.16791  -0.00012  -0.08486   0.12926   0.04457  -0.12334
   D54        1.87264  -0.00012  -0.08243   0.12375   0.04156   1.91420
   D55       -0.91234  -0.00024   0.01752  -0.01400   0.00353  -0.90881
   D56        1.22730  -0.00065   0.01244  -0.01194   0.00050   1.22780
   D57       -3.03573  -0.00050   0.01279  -0.00935   0.00344  -3.03229
   D58        1.28412   0.00067   0.01818  -0.01370   0.00448   1.28859
   D59       -2.85943   0.00026   0.01309  -0.01164   0.00145  -2.85798
   D60       -0.83928   0.00040   0.01345  -0.00905   0.00439  -0.83489
   D61       -2.98434   0.00049   0.01935  -0.01375   0.00561  -2.97874
   D62       -0.84470   0.00008   0.01427  -0.01169   0.00258  -0.84213
   D63        1.17545   0.00023   0.01462  -0.00910   0.00552   1.18097
   D64       -1.09390  -0.00054   0.01116   0.00144   0.01260  -1.08130
   D65        1.04603  -0.00031   0.01131  -0.00030   0.01101   1.05704
   D66        3.08233  -0.00049   0.01165   0.00035   0.01200   3.09433
   D67        2.95647   0.00021   0.01171   0.00161   0.01331   2.96979
   D68       -1.18678   0.00045   0.01186  -0.00014   0.01172  -1.17506
   D69        0.84952   0.00026   0.01220   0.00051   0.01271   0.86223
   D70        0.95478   0.00016   0.01198   0.00221   0.01419   0.96897
   D71        3.09471   0.00040   0.01213   0.00047   0.01260   3.10731
   D72       -1.15217   0.00021   0.01247   0.00112   0.01359  -1.13858
   D73        3.03766   0.00011   0.00104   0.01442   0.01546   3.05312
   D74        0.92249   0.00009   0.00028   0.01578   0.01607   0.93855
   D75       -1.18245   0.00000  -0.00016   0.01786   0.01770  -1.16475
   D76       -1.08103   0.00006   0.00068   0.00968   0.01035  -1.07068
   D77        3.08699   0.00003  -0.00009   0.01104   0.01095   3.09794
   D78        0.98206  -0.00006  -0.00053   0.01311   0.01259   0.99464
   D79        0.97235   0.00006   0.00139   0.00941   0.01080   0.98315
   D80       -1.14281   0.00004   0.00063   0.01077   0.01140  -1.13141
   D81        3.03544  -0.00005   0.00019   0.01284   0.01303   3.04847
   D82        1.68403   0.00065  -0.00905   0.03629   0.02724   1.71127
   D83       -1.39731   0.00076  -0.00433   0.03071   0.02638  -1.37093
   D84       -0.52067   0.00006  -0.00886   0.03768   0.02882  -0.49185
   D85        2.68117   0.00016  -0.00414   0.03210   0.02796   2.70913
   D86       -2.55175  -0.00013  -0.00957   0.03583   0.02626  -2.52549
   D87        0.65009  -0.00002  -0.00485   0.03025   0.02540   0.67549
   D88        1.58643  -0.00057   0.04114  -0.14135  -0.10021   1.48623
   D89       -2.57012  -0.00020   0.03037  -0.11789  -0.08753  -2.65764
   D90       -0.47375  -0.00025   0.03217  -0.11758  -0.08542  -0.55917
   D91       -0.54180  -0.00014   0.04458  -0.14095  -0.09637  -0.63816
   D92        1.58484   0.00023   0.03381  -0.11750  -0.08369   1.50116
   D93       -2.60198   0.00018   0.03561  -0.11719  -0.08158  -2.68356
   D94       -2.59451  -0.00038   0.04389  -0.14071  -0.09682  -2.69133
   D95       -0.46788  -0.00001   0.03312  -0.11725  -0.08414  -0.55201
   D96        1.62849  -0.00006   0.03491  -0.11694  -0.08203   1.54646
   D97       -1.10090  -0.00031  -0.02118   0.02750   0.00631  -1.09458
   D98        1.06540  -0.00024  -0.01826   0.02417   0.00590   1.07130
   D99        3.12297  -0.00037  -0.01915   0.02640   0.00725   3.13022
   D100       2.99673   0.00018  -0.00913   0.01203   0.00289   2.99962
   D101      -1.12016   0.00025  -0.00622   0.00870   0.00248  -1.11768
   D102       0.93741   0.00012  -0.00710   0.01093   0.00383   0.94124
   D103       0.88756   0.00003  -0.01139   0.01174   0.00035   0.88792
   D104       3.05386   0.00010  -0.00848   0.00841  -0.00006   3.05380
   D105      -1.17176  -0.00003  -0.00936   0.01064   0.00129  -1.17047
   D106      -1.07990  -0.00012   0.00596  -0.00290   0.00306  -1.07684
   D107       3.11474  -0.00016   0.00563  -0.00277   0.00287   3.11760
   D108       1.03039  -0.00018   0.00546  -0.00248   0.00298   1.03337
   D109       1.05130   0.00012   0.00700  -0.00516   0.00184   1.05314
   D110      -1.03725   0.00008   0.00667  -0.00502   0.00164  -1.03561
   D111      -3.12160   0.00006   0.00650  -0.00474   0.00176  -3.11984
   D112       3.13785   0.00012   0.00784  -0.00737   0.00047   3.13832
   D113       1.04930   0.00009   0.00751  -0.00724   0.00028   1.04957
   D114      -1.03505   0.00007   0.00734  -0.00695   0.00039  -1.03466
   D115       0.89017  -0.00002   0.00696   0.00094   0.00789   0.89806
   D116      -1.21346  -0.00008   0.00659   0.00124   0.00783  -1.20563
   D117       2.98042  -0.00008   0.00671   0.00079   0.00750   2.98792
   D118      -1.21985   0.00014   0.00732  -0.00107   0.00625  -1.21360
   D119       2.95970   0.00008   0.00695  -0.00077   0.00618   2.96588
   D120       0.87039   0.00008   0.00708  -0.00122   0.00586   0.87625
   D121       2.98726   0.00004   0.00662   0.00048   0.00710   2.99436
   D122       0.88363  -0.00002   0.00625   0.00079   0.00704   0.89066
   D123      -1.20568  -0.00002   0.00637   0.00034   0.00671  -1.19897
   D124      -1.03199  -0.00001  -0.00366   0.01457   0.01091  -1.02108
   D125       1.11951   0.00006  -0.00204   0.01155   0.00951   1.12902
   D126      -3.13576  -0.00001  -0.00287   0.01303   0.01016  -3.12560
   D127       3.08788  -0.00013  -0.00742   0.02064   0.01322   3.10109
   D128      -1.04381  -0.00006  -0.00580   0.01762   0.01182  -1.03199
   D129       0.98411  -0.00013  -0.00663   0.01910   0.01247   0.99658
   D130       1.04200   0.00008  -0.00438   0.01347   0.00909   1.05108
   D131      -3.08969   0.00015  -0.00276   0.01044   0.00769  -3.08200
   D132      -1.06177   0.00008  -0.00359   0.01192   0.00834  -1.05343
   D133      -1.56384   0.00055   0.00924  -0.01676  -0.00752  -1.57137
   D134       1.58946   0.00066   0.00779  -0.01468  -0.00689   1.58257
   D135       2.57997  -0.00012   0.00913  -0.01618  -0.00704   2.57293
   D136      -0.54990   0.00000   0.00769  -0.01409  -0.00641  -0.55631
   D137       0.52383   0.00016   0.00851  -0.01628  -0.00777   0.51606
   D138      -2.60605   0.00028   0.00707  -0.01420  -0.00713  -2.61318
   D139       0.77504  -0.00008  -0.00817   0.01271   0.00459   0.77963
   D140       2.87108  -0.00006  -0.00860   0.01316   0.00460   2.87568
   D141      -1.35506  -0.00001  -0.00780   0.01229   0.00452  -1.35053
   D142      -1.32184   0.00001  -0.00760   0.00660  -0.00100  -1.32284
   D143       0.77420   0.00003  -0.00803   0.00706  -0.00099   0.77321
   D144       2.83125   0.00008  -0.00722   0.00618  -0.00106   2.83018
   D145       2.90949  -0.00017  -0.00644   0.00493  -0.00146   2.90803
   D146      -1.27765  -0.00014  -0.00687   0.00538  -0.00145  -1.27910
   D147       0.77939  -0.00010  -0.00606   0.00451  -0.00152   0.77787
   D148      -0.82470  -0.00003  -0.00790   0.01040   0.00256  -0.82214
   D149      -2.96314   0.00009  -0.00205   0.00063  -0.00136  -2.96450
   D150       1.26737   0.00004  -0.00233   0.00123  -0.00110   1.26627
   D151      -2.91678  -0.00002  -0.00811   0.01103   0.00295  -2.91383
   D152       1.22796   0.00010  -0.00227   0.00126  -0.00097   1.22699
   D153      -0.82472   0.00005  -0.00255   0.00186  -0.00071  -0.82543
   D154       1.30121  -0.00015  -0.00797   0.00836   0.00044   1.30165
   D155      -0.83722  -0.00003  -0.00212  -0.00140  -0.00349  -0.84071
   D156      -2.88990  -0.00008  -0.00240  -0.00080  -0.00322  -2.89313
   D157      -1.25465   0.00002   0.01651  -0.02732  -0.01081  -1.26547
   D158       1.90202   0.00002   0.01741  -0.02890  -0.01149   1.89053
   D159       2.89076   0.00005   0.01509  -0.02662  -0.01153   2.87924
   D160      -0.23575   0.00005   0.01599  -0.02820  -0.01221  -0.24795
   D161       0.83213  -0.00003   0.01564  -0.02498  -0.00934   0.82279
   D162      -2.29438  -0.00003   0.01654  -0.02656  -0.01002  -2.30440
   D163      -3.12846   0.00000  -0.00141   0.00197   0.00057  -3.12789
   D164       0.01011   0.00005  -0.00148   0.00275   0.00127   0.01138
   D165       0.00155  -0.00011   0.00003  -0.00008  -0.00005   0.00150
   D166       3.14012  -0.00005  -0.00005   0.00070   0.00065   3.14077
   D167       3.12797  -0.00002   0.00198  -0.00317  -0.00120   3.12678
   D168      -0.02214   0.00024   0.00344  -0.00232   0.00112  -0.02102
   D169      -0.00198   0.00010   0.00054  -0.00110  -0.00056  -0.00255
   D170       3.13109   0.00036   0.00200  -0.00025   0.00175   3.13284
   D171      -3.12556   0.00000   0.00061  -0.00216  -0.00155  -3.12710
   D172       0.02241   0.00000   0.00058  -0.00272  -0.00214   0.02028
   D173       0.00114   0.00000  -0.00027  -0.00061  -0.00088   0.00026
   D174      -3.13407   0.00000  -0.00030  -0.00117  -0.00147  -3.13554
   D175       3.12498  -0.00001  -0.00101   0.00209   0.00108   3.12606
   D176      -0.01933   0.00000   0.00019   0.00093   0.00112  -0.01822
   D177      -0.00168  -0.00001  -0.00013   0.00053   0.00040  -0.00128
   D178       3.13720   0.00000   0.00107  -0.00063   0.00044   3.13764
   D179       2.70166   0.00009   0.02394  -0.02748  -0.00354   2.69811
   D180       0.65620   0.00015   0.02320  -0.02596  -0.00276   0.65344
   D181      -1.42697  -0.00003   0.02421  -0.02687  -0.00266  -1.42963
   D182      -0.49651  -0.00006   0.02332  -0.02470  -0.00138  -0.49789
   D183      -2.54197   0.00001   0.02258  -0.02318  -0.00059  -2.54256
   D184       1.65805  -0.00018   0.02359  -0.02409  -0.00050   1.65755
   D185       0.00033   0.00004  -0.00059   0.00108   0.00049   0.00082
   D186       3.13994   0.00005  -0.00063   0.00166   0.00104   3.14098
   D187      -3.13823  -0.00002  -0.00051   0.00029  -0.00022  -3.13845
   D188       0.00138  -0.00001  -0.00055   0.00088   0.00033   0.00171
   D189       0.00053  -0.00002  -0.00055   0.00130   0.00075   0.00128
   D190       3.14014   0.00005  -0.00088   0.00242   0.00155  -3.14150
   D191      -3.13259  -0.00029  -0.00200   0.00045  -0.00156  -3.13415
   D192       0.00702  -0.00021  -0.00233   0.00157  -0.00076   0.00626
   D193       0.00057   0.00001   0.00037   0.00030   0.00067   0.00124
   D194      -3.13941   0.00002   0.00031   0.00042   0.00073  -3.13868
   D195       3.13576   0.00001   0.00040   0.00086   0.00126   3.13702
   D196      -0.00422   0.00001   0.00034   0.00098   0.00132  -0.00289
   D197       0.00051   0.00002   0.00044  -0.00016   0.00028   0.00079
   D198       3.14109   0.00002   0.00080  -0.00035   0.00044   3.14153
   D199      -3.13837   0.00000  -0.00076   0.00100   0.00024  -3.13812
   D200       0.00222   0.00001  -0.00040   0.00081   0.00040   0.00262
   D201      -0.00180   0.00004   0.00058  -0.00089  -0.00031  -0.00210
   D202       3.13942  -0.00002   0.00058  -0.00115  -0.00057   3.13885
   D203      -3.14140   0.00003   0.00062  -0.00147  -0.00086   3.14093
   D204      -0.00019  -0.00003   0.00062  -0.00174  -0.00112  -0.00131
   D205       0.00137  -0.00005  -0.00001  -0.00030  -0.00031   0.00105
   D206      -3.13985   0.00001  -0.00001  -0.00004  -0.00005  -3.13990
   D207      -3.13824  -0.00012   0.00032  -0.00143  -0.00111  -3.13935
   D208       0.00373  -0.00006   0.00032  -0.00117  -0.00085   0.00288
   D209      -0.00175  -0.00001  -0.00006   0.00008   0.00003  -0.00173
   D210       3.14059   0.00000  -0.00011   0.00026   0.00015   3.14074
   D211       3.13822  -0.00001   0.00000  -0.00003  -0.00004   3.13819
   D212      -0.00262  -0.00001  -0.00005   0.00014   0.00009  -0.00253
   D213       0.00122  -0.00001  -0.00034  -0.00016  -0.00050   0.00072
   D214      -3.14112  -0.00002  -0.00029  -0.00033  -0.00063   3.14144
   D215      -3.13936  -0.00002  -0.00070   0.00004  -0.00066  -3.14002
   D216       0.00148  -0.00002  -0.00065  -0.00013  -0.00078   0.00070
   D217      -3.07332   0.00009   0.00565  -0.00620  -0.00056  -3.07387
   D218       0.06260   0.00009   0.00474  -0.00584  -0.00110   0.06150
   D219      -0.02250   0.00009   0.00340  -0.00404  -0.00064  -0.02314
   D220       3.11342   0.00010   0.00249  -0.00368  -0.00119   3.11223
   D221       3.07888  -0.00016  -0.00655   0.00689   0.00034   3.07921
   D222      -0.04972  -0.00020  -0.00826   0.00822  -0.00004  -0.04976
   D223       0.03179  -0.00011  -0.00426   0.00451   0.00024   0.03204
   D224      -3.09680  -0.00015  -0.00597   0.00584  -0.00013  -3.09693
   D225      -0.00208  -0.00002  -0.00039   0.00100   0.00061  -0.00147
   D226       3.13924   0.00002   0.00037   0.00018   0.00055   3.13979
   D227      -3.13807  -0.00002   0.00053   0.00062   0.00114  -3.13693
   D228       0.00325   0.00002   0.00129  -0.00021   0.00108   0.00433
   D229      -2.78389  -0.00007  -0.03530   0.04145   0.00615  -2.77774
   D230       1.40974  -0.00022  -0.03686   0.04365   0.00678   1.41652
   D231      -0.68419   0.00003  -0.03432   0.03948   0.00516  -0.67903
   D232       0.35194  -0.00006  -0.03623   0.04184   0.00561   0.35754
   D233      -1.73762  -0.00022  -0.03779   0.04403   0.00624  -1.73138
   D234       2.45164   0.00004  -0.03526   0.03987   0.00461   2.45625
   D235      -0.01676   0.00006   0.00214  -0.00194   0.00021  -0.01655
   D236       3.13112   0.00006   0.00248  -0.00273  -0.00025   3.13087
   D237       3.11212   0.00009   0.00378  -0.00322   0.00056   3.11267
   D238      -0.02319   0.00009   0.00412  -0.00402   0.00010  -0.02309
   D239       2.80216   0.00005   0.00579  -0.00752  -0.00173   2.80043
   D240       0.70450  -0.00008   0.00457  -0.00699  -0.00242   0.70208
   D241      -1.38767   0.00011   0.00598  -0.00734  -0.00136  -1.38903
   D242      -0.32630   0.00002   0.00409  -0.00619  -0.00210  -0.32840
   D243      -2.42396  -0.00012   0.00287  -0.00566  -0.00279  -2.42675
   D244       1.76706   0.00007   0.00428  -0.00601  -0.00173   1.76532
   D245       0.01682  -0.00004  -0.00170   0.00152  -0.00018   0.01664
   D246      -3.13101   0.00000  -0.00109   0.00126   0.00018  -3.13083
   D247      -3.12450  -0.00008  -0.00246   0.00234  -0.00012  -3.12462
   D248       0.01086  -0.00004  -0.00185   0.00209   0.00024   0.01110
   D249      -0.00718   0.00003   0.00080  -0.00104  -0.00024  -0.00742
   D250       3.14066  -0.00002   0.00019  -0.00078  -0.00059   3.14007
   D251       3.12808   0.00003   0.00047  -0.00025   0.00022   3.12831
   D252      -0.00726  -0.00002  -0.00015   0.00002  -0.00013  -0.00739
         Item               Value     Threshold  Converged?
 Maximum Force            0.003480     0.000450     NO 
 RMS     Force            0.000377     0.000300     NO 
 Maximum Displacement     0.502176     0.001800     NO 
 RMS     Displacement     0.116770     0.001200     NO 
 Predicted change in Energy=-3.142054D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.191459   -0.084460   -1.004374
      2          8           0       -2.815333    0.152261   -2.479623
      3          8           0       -3.607333   -2.105517    1.392906
      4          8           0        2.350898    2.300398    2.181715
      5          8           0        3.545916   -0.989798    1.601200
      6          7           0       -2.955700   -2.642149   -0.776638
      7          7           0       -3.197764    0.411954   -0.223323
      8          7           0        2.163915    1.024884    0.275688
      9          7           0       -1.924001   -3.661750    1.176312
     10          6           0       -2.748825    1.779562   -0.105309
     11          6           0       -3.921835   -1.697635   -1.302173
     12          6           0       -1.367029    2.059987   -0.723660
     13          6           0       -0.259023    1.124810   -0.262313
     14          6           0       -4.511771   -2.090931   -2.671550
     15          6           0        1.132313    1.830572   -0.334024
     16          6           0       -2.759546    2.246355    1.365544
     17          6           0       -3.279844   -0.281241   -1.402220
     18          6           0       -1.846361   -3.038576   -1.619448
     19          6           0       -0.547968   -3.307820   -0.861096
     20          6           0        1.457261    2.164034   -1.803452
     21          6           0       -2.841266   -2.750026    0.626165
     22          6           0       -5.593554   -1.099507   -3.056435
     23          6           0       -5.092843   -3.489127   -2.633678
     24          6           0       -0.813913   -4.140758    0.388220
     25          6           0       -4.126055    2.221201    1.951555
     26          6           0        2.744505    2.889953   -1.961369
     27          6           0        2.666745    1.285381    1.526300
     28          6           0       -4.946766    3.352029    1.864422
     29          6           0       -4.599429    1.077249    2.606682
     30          6           0        2.850910    4.230703   -1.570440
     31          6           0        3.857505    2.249056   -2.516990
     32          6           0        3.710583    0.336346    2.115765
     33          6           0       -6.222250    3.340479    2.425800
     34          6           0       -5.875628    1.070005    3.168146
     35          6           0       -6.688102    2.199925    3.079578
     36          6           0        4.051908    4.917868   -1.733664
     37          6           0        5.058088    2.938899   -2.680571
     38          6           0        5.157344    4.273661   -2.289925
     39          6           0        4.735394   -1.620140    1.242829
     40          6           0        4.855184   -2.067234   -0.088307
     41          6           0        5.729336   -1.898852    2.197688
     42          6           0        6.003214   -2.775741   -0.454652
     43          6           0        6.870456   -2.601860    1.791934
     44          6           0        3.793722   -1.807391   -1.087221
     45          6           0        5.587881   -1.482303    3.611949
     46          6           0        7.008349   -3.032846    0.475922
     47          1           0       -3.483955    2.432562   -0.672960
     48          1           0       -4.787547   -1.655840   -0.568300
     49          1           0       -1.465864    1.998633   -1.842458
     50          1           0       -1.091748    3.115881   -0.463296
     51          1           0       -0.446140    0.801817    0.803427
     52          1           0       -3.694399   -2.045807   -3.444255
     53          1           0        1.061904    2.797307    0.250101
     54          1           0       -3.567419   -0.012919    0.604888
     55          1           0       -2.070932    1.603330    1.975863
     56          1           0       -2.355286    3.292936    1.394219
     57          1           0       -2.152472   -3.975273   -2.169783
     58          1           0       -1.654913   -2.228440   -2.383504
     59          1           0        0.153504   -3.864189   -1.532643
     60          1           0       -0.061639   -2.333212   -0.584368
     61          1           0        1.467356    1.214842   -2.403741
     62          1           0        0.622032    2.802397   -2.199236
     63          1           0       -6.427546   -1.115867   -2.314205
     64          1           0       -6.006727   -1.365853   -4.059331
     65          1           0       -5.177190   -0.064491   -3.111332
     66          1           0       -5.797099   -3.599865   -1.774070
     67          1           0       -4.289199   -4.256898   -2.532293
     68          1           0       -5.652852   -3.692527   -3.578851
     69          1           0        0.116817   -4.167539    1.022798
     70          1           0       -1.052356   -5.200867    0.082042
     71          1           0        2.305857    0.120686   -0.116600
     72          1           0       -1.759719   -3.533140    2.152970
     73          1           0       -0.697296    0.024227   -1.821248
     74          1           0       -4.580514    4.253822    1.351892
     75          1           0       -3.968307    0.175220    2.676756
     76          1           0        1.981809    4.739449   -1.127610
     77          1           0        3.785216    1.194848   -2.823839
     78          1           0        3.542371    0.285659    3.225448
     79          1           0        4.728583    0.749087    1.897097
     80          1           0       -6.860885    4.232852    2.353784
     81          1           0       -6.239698    0.167453    3.681014
     82          1           0       -7.693622    2.192374    3.524553
     83          1           0        4.127875    5.969705   -1.421548
     84          1           0        5.927959    2.427731   -3.117996
     85          1           0        6.104345    4.817078   -2.419021
     86          1           0        6.111829   -3.133552   -1.489800
     87          1           0        7.660156   -2.817267    2.527497
     88          1           0        3.865723   -2.523995   -1.942373
     89          1           0        3.895322   -0.767865   -1.491922
     90          1           0        2.780658   -1.913745   -0.624222
     91          1           0        6.268702   -2.073319    4.272928
     92          1           0        4.535701   -1.636069    3.960034
     93          1           0        5.843044   -0.398552    3.726245
     94          1           0        7.909762   -3.582959    0.168345
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0845156      0.0407034      0.0359676
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3238.2617795782 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247218406645     A.U. after   14 cycles
             Convg  =    0.9533D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000000661    0.001383032   -0.000478114
      2        8           0.000099817    0.000061496   -0.000395246
      3        8           0.000592969   -0.000955995    0.000809283
      4        8          -0.000396683   -0.000348028   -0.000539498
      5        8           0.000131384    0.000215191    0.000078617
      6        7           0.001077810    0.001258791   -0.001103580
      7        7           0.000151917    0.000910291    0.001329532
      8        7          -0.000124988   -0.000347621    0.001081046
      9        7          -0.001133567   -0.001918044   -0.001675886
     10        6           0.000897561   -0.000798331   -0.000474687
     11        6           0.000831804   -0.000860591   -0.000856055
     12        6          -0.000182919    0.000187489   -0.000342314
     13        6          -0.000208043   -0.000344501    0.000030808
     14        6          -0.000424487    0.000339797    0.001021051
     15        6          -0.000620851   -0.000014249    0.000316204
     16        6           0.000210147   -0.000373265   -0.000181947
     17        6           0.000302104    0.000225404    0.000057017
     18        6           0.000038699    0.000232121   -0.000507975
     19        6          -0.000746693    0.000064003    0.000169272
     20        6           0.000138545    0.000702907   -0.000009007
     21        6           0.002089102   -0.000343040    0.000586317
     22        6           0.000139039    0.000100752   -0.000100693
     23        6           0.000056855    0.000059269    0.000125778
     24        6          -0.001561183    0.001697769   -0.000805999
     25        6           0.000055520    0.000505995   -0.000224928
     26        6          -0.000168853    0.000047342   -0.000207491
     27        6           0.001010077    0.000706422    0.000086190
     28        6          -0.000093236    0.000190621   -0.000080557
     29        6          -0.000381996   -0.000070200   -0.000174193
     30        6           0.000042775   -0.000068709    0.000049163
     31        6           0.000129225   -0.000156076    0.000004631
     32        6           0.000064786    0.000027479    0.000452905
     33        6           0.000023973   -0.000021090   -0.000013087
     34        6           0.000101715    0.000032845    0.000054720
     35        6          -0.000112889    0.000063935   -0.000070145
     36        6           0.000014598   -0.000003591    0.000062867
     37        6          -0.000050855    0.000072131   -0.000010726
     38        6          -0.000002321   -0.000008057   -0.000016301
     39        6          -0.000276526   -0.000709364    0.000290318
     40        6          -0.000331279    0.000234378   -0.000463679
     41        6           0.000923235   -0.000007324   -0.000211320
     42        6           0.000919658    0.000076001   -0.000166668
     43        6          -0.000627177    0.000316531   -0.000354045
     44        6           0.000094805    0.000068126   -0.000036055
     45        6          -0.000261129   -0.000045507    0.000236323
     46        6          -0.000634428   -0.000022396    0.000455272
     47        1          -0.000168170   -0.000356678    0.000262579
     48        1           0.000338216   -0.000264270   -0.000022816
     49        1          -0.000014217    0.000046579    0.000112196
     50        1          -0.000075560    0.000169406    0.000043942
     51        1           0.000110651   -0.000276506   -0.000009051
     52        1           0.000119138   -0.000387791   -0.000144449
     53        1          -0.000453524    0.000065699    0.000107136
     54        1           0.000216100   -0.000991321    0.000957232
     55        1           0.000176868   -0.000021295   -0.000212388
     56        1          -0.000082508   -0.000237564   -0.000047987
     57        1          -0.000220104    0.000118063   -0.000018828
     58        1          -0.000220747   -0.000030240   -0.000141593
     59        1          -0.000065806    0.000080436    0.000026877
     60        1           0.000020279    0.000198287    0.000127499
     61        1           0.000064650    0.000223168   -0.000084488
     62        1          -0.000111330    0.000139055   -0.000181671
     63        1          -0.000052243   -0.000015061   -0.000004509
     64        1          -0.000019936    0.000096638   -0.000044265
     65        1           0.000012506   -0.000081821   -0.000082841
     66        1          -0.000076244   -0.000026986    0.000013485
     67        1           0.000031368    0.000072520    0.000120264
     68        1          -0.000031939   -0.000031801    0.000026195
     69        1          -0.000136754    0.000147579   -0.000076921
     70        1           0.000132505   -0.000102850    0.000241809
     71        1           0.000311878   -0.000226648    0.000027184
     72        1          -0.001051787   -0.000008434    0.001866594
     73        1          -0.000332008   -0.001103251    0.000426509
     74        1          -0.000102889   -0.000038059   -0.000042355
     75        1           0.000182632    0.000448127   -0.000463552
     76        1           0.000000057    0.000040085   -0.000039181
     77        1           0.000013010   -0.000005364    0.000024340
     78        1           0.000236335    0.000055383    0.000025720
     79        1           0.000042631   -0.000081583   -0.000155420
     80        1          -0.000043952   -0.000041549   -0.000027811
     81        1           0.000019135    0.000092892    0.000069357
     82        1           0.000008269    0.000028215    0.000024185
     83        1          -0.000016299   -0.000007797   -0.000050376
     84        1           0.000015506   -0.000026775    0.000040033
     85        1           0.000007662   -0.000022169   -0.000013450
     86        1          -0.000186405   -0.000011376   -0.000041429
     87        1           0.000150515    0.000013804    0.000115181
     88        1          -0.000031463   -0.000154579   -0.000039617
     89        1          -0.000286450    0.000131739   -0.000150881
     90        1          -0.000092395    0.000114484   -0.000207778
     91        1          -0.000032023   -0.000056834    0.000004809
     92        1          -0.000156081    0.000004206   -0.000023708
     93        1          -0.000149615   -0.000039959   -0.000035755
     94        1           0.000203184   -0.000001945   -0.000097122
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002089102 RMS     0.000448025

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.003522892 RMS     0.000409236
 Search for a local minimum.
 Step number  28 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   26   27   28
 DE= -3.63D-04 DEPred=-3.14D-04 R= 1.16D+00
 SS=  1.41D+00  RLast= 4.93D-01 DXNew= 1.9854D+00 1.4799D+00
 Trust test= 1.16D+00 RLast= 4.93D-01 DXMaxT set to 1.48D+00
     Eigenvalues ---    0.00040   0.00189   0.00204   0.00234   0.00246
     Eigenvalues ---    0.00256   0.00278   0.00331   0.00386   0.00406
     Eigenvalues ---    0.00447   0.00485   0.00512   0.00540   0.00553
     Eigenvalues ---    0.00654   0.00672   0.00719   0.00939   0.01206
     Eigenvalues ---    0.01274   0.01349   0.01385   0.01401   0.01442
     Eigenvalues ---    0.01454   0.01494   0.01527   0.01593   0.01717
     Eigenvalues ---    0.02010   0.02017   0.02088   0.02116   0.02128
     Eigenvalues ---    0.02142   0.02150   0.02151   0.02154   0.02161
     Eigenvalues ---    0.02171   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02186   0.02187
     Eigenvalues ---    0.02188   0.02192   0.02287   0.02331   0.02364
     Eigenvalues ---    0.02575   0.02827   0.03063   0.03231   0.03555
     Eigenvalues ---    0.03745   0.03802   0.03964   0.04017   0.04199
     Eigenvalues ---    0.04275   0.04395   0.04469   0.04680   0.04712
     Eigenvalues ---    0.04797   0.04958   0.04993   0.05063   0.05136
     Eigenvalues ---    0.05331   0.05392   0.05442   0.05485   0.05567
     Eigenvalues ---    0.05589   0.05633   0.05644   0.05680   0.05926
     Eigenvalues ---    0.05965   0.06300   0.06776   0.06977   0.07125
     Eigenvalues ---    0.07139   0.07218   0.07353   0.07453   0.07527
     Eigenvalues ---    0.07757   0.07999   0.08322   0.08736   0.09196
     Eigenvalues ---    0.09354   0.09578   0.09691   0.10896   0.11576
     Eigenvalues ---    0.12139   0.12585   0.12857   0.12965   0.13892
     Eigenvalues ---    0.14046   0.15534   0.15879   0.15950   0.15960
     Eigenvalues ---    0.15987   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16003   0.16007   0.16009   0.16012   0.16020
     Eigenvalues ---    0.16059   0.16113   0.16199   0.16425   0.16609
     Eigenvalues ---    0.16832   0.17469   0.17721   0.18969   0.19271
     Eigenvalues ---    0.19940   0.20399   0.21105   0.21166   0.21889
     Eigenvalues ---    0.21988   0.22000   0.22000   0.22003   0.22047
     Eigenvalues ---    0.22184   0.22421   0.22617   0.23232   0.23333
     Eigenvalues ---    0.23422   0.23505   0.23752   0.23902   0.24541
     Eigenvalues ---    0.24731   0.24853   0.24931   0.25013   0.25067
     Eigenvalues ---    0.25190   0.25439   0.25633   0.26106   0.26900
     Eigenvalues ---    0.26974   0.27654   0.27894   0.27947   0.28312
     Eigenvalues ---    0.28605   0.28948   0.29236   0.29833   0.30015
     Eigenvalues ---    0.30181   0.30864   0.31489   0.32117   0.32316
     Eigenvalues ---    0.33045   0.33614   0.34239   0.34412   0.34476
     Eigenvalues ---    0.34533   0.34589   0.34646   0.34660   0.34684
     Eigenvalues ---    0.34704   0.34712   0.34727   0.34740   0.34745
     Eigenvalues ---    0.34751   0.34759   0.34760   0.34776   0.34780
     Eigenvalues ---    0.34790   0.34802   0.34805   0.34815   0.34830
     Eigenvalues ---    0.34831   0.34843   0.34872   0.34899   0.34948
     Eigenvalues ---    0.35116   0.35288   0.35602   0.35817   0.35888
     Eigenvalues ---    0.35921   0.35927   0.35946   0.35968   0.35985
     Eigenvalues ---    0.35992   0.36000   0.36008   0.36026   0.36034
     Eigenvalues ---    0.36063   0.36753   0.37344   0.38065   0.40274
     Eigenvalues ---    0.40793   0.40998   0.42224   0.42275   0.42350
     Eigenvalues ---    0.42776   0.42989   0.43200   0.44939   0.45076
     Eigenvalues ---    0.45741   0.45975   0.46133   0.46165   0.46189
     Eigenvalues ---    0.46336   0.46441   0.46592   0.46737   0.46777
     Eigenvalues ---    0.46837   0.46957   0.47008   0.47561   0.48882
     Eigenvalues ---    0.50134   0.54497   0.56378   0.58098   0.59904
     Eigenvalues ---    0.72404   0.79204   0.89754   0.91413   0.94149
     Eigenvalues ---    0.965221000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    28   27   26   25   24
 RFO step:  Lambda=-1.43275803D-04.
 DIIS coeffs:      1.85699     -2.03608      0.48058     -0.79355      1.49206
 Iteration  1 RMS(Cart)=  0.07501891 RMS(Int)=  0.00129518
 Iteration  2 RMS(Cart)=  0.00166960 RMS(Int)=  0.00101099
 Iteration  3 RMS(Cart)=  0.00000117 RMS(Int)=  0.00101099
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00101099
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68418  -0.00013   0.00141  -0.00539  -0.00398   2.68020
    R2        1.82725   0.00068   0.00037   0.00025   0.00062   1.82786
    R3        2.36366  -0.00024  -0.00084   0.00020  -0.00064   2.36302
    R4        2.38296  -0.00133  -0.00084   0.00016  -0.00068   2.38228
    R5        2.35996   0.00066   0.00093  -0.00060   0.00033   2.36029
    R6        2.70604  -0.00074  -0.00042  -0.00002  -0.00044   2.70560
    R7        2.63250  -0.00083  -0.00003   0.00029   0.00025   2.63276
    R8        2.73959  -0.00115  -0.00155   0.00281   0.00126   2.74085
    R9        2.73725  -0.00156   0.00144  -0.00187   0.00082   2.73807
   R10        2.66752  -0.00202  -0.00418  -0.00065  -0.00491   2.66261
   R11        2.72921   0.00094   0.00167  -0.00061   0.00106   2.73028
   R12        2.58903  -0.00075   0.00084  -0.00029   0.00055   2.58958
   R13        1.89265  -0.00117  -0.00277   0.00030  -0.00247   1.89018
   R14        2.72873   0.00046   0.00025   0.00013   0.00038   2.72911
   R15        2.59432   0.00089   0.00135  -0.00040   0.00095   2.59527
   R16        1.88178   0.00015   0.00034  -0.00024   0.00010   1.88188
   R17        2.65591  -0.00352  -0.00480   0.00445  -0.00178   2.65413
   R18        2.72726  -0.00202  -0.00651   0.00407  -0.00377   2.72349
   R19        1.88726  -0.00202  -0.00276   0.00117  -0.00159   1.88567
   R20        2.90942  -0.00134  -0.00012  -0.00029  -0.00041   2.90901
   R21        2.91620   0.00148  -0.00150   0.00088  -0.00062   2.91558
   R22        2.14553   0.00025   0.00110  -0.00055   0.00055   2.14608
   R23        2.91404   0.00094   0.00280  -0.00029   0.00251   2.91655
   R24        2.94478  -0.00076  -0.00282   0.00265  -0.00017   2.94461
   R25        2.14613  -0.00033  -0.00084   0.00035  -0.00049   2.14564
   R26        2.87529  -0.00093   0.00113  -0.00276  -0.00163   2.87366
   R27        2.12562   0.00008   0.00085  -0.00030   0.00055   2.12617
   R28        2.11993  -0.00010  -0.00052  -0.00008  -0.00060   2.11933
   R29        2.95128  -0.00106  -0.00102  -0.00198  -0.00300   2.94828
   R30        2.13392  -0.00016  -0.00120   0.00025  -0.00094   2.13298
   R31        2.86673  -0.00006  -0.00008   0.00011   0.00002   2.86675
   R32        2.86219   0.00022  -0.00044   0.00121   0.00076   2.86295
   R33        2.12727   0.00031   0.00058  -0.00019   0.00039   2.12766
   R34        2.91288  -0.00097  -0.00146  -0.00019  -0.00165   2.91123
   R35        2.13860   0.00007   0.00019   0.00013   0.00032   2.13891
   R36        2.81016   0.00134   0.00023   0.00057   0.00079   2.81095
   R37        2.12135   0.00021   0.00057   0.00004   0.00061   2.12196
   R38        2.12086   0.00023   0.00150  -0.00049   0.00102   2.12188
   R39        2.88665  -0.00106  -0.00038  -0.00022   0.00055   2.88720
   R40        2.13294  -0.00001   0.00015  -0.00018  -0.00003   2.13291
   R41        2.13527   0.00013   0.00144  -0.00039   0.00105   2.13632
   R42        2.88163   0.00004   0.00029   0.00008   0.00067   2.88231
   R43        2.11496  -0.00006  -0.00019   0.00030   0.00010   2.11507
   R44        2.12370  -0.00022  -0.00015  -0.00001  -0.00017   2.12353
   R45        2.80858   0.00017  -0.00015   0.00049   0.00034   2.80891
   R46        2.12240  -0.00002   0.00010  -0.00015  -0.00005   2.12235
   R47        2.12269   0.00011   0.00037   0.00003   0.00040   2.12309
   R48        2.11000   0.00001   0.00012   0.00005   0.00017   2.11017
   R49        2.11063  -0.00004   0.00001   0.00006   0.00008   2.11070
   R50        2.11077   0.00011   0.00032  -0.00002   0.00030   2.11108
   R51        2.11038  -0.00002  -0.00011   0.00017   0.00006   2.11044
   R52        2.10905   0.00005  -0.00013   0.00001  -0.00012   2.10893
   R53        2.11137   0.00004   0.00015  -0.00003   0.00011   2.11148
   R54        2.12933  -0.00010   0.00003   0.00022   0.00025   2.12958
   R55        2.13332   0.00019   0.00054   0.00009   0.00063   2.13395
   R56        2.64557   0.00035   0.00044   0.00003   0.00047   2.64604
   R57        2.64690   0.00041  -0.00101   0.00081  -0.00020   2.64670
   R58        2.64680   0.00000  -0.00031   0.00024  -0.00007   2.64674
   R59        2.64442   0.00018   0.00020   0.00008   0.00028   2.64470
   R60        2.88933  -0.00028  -0.00022  -0.00109  -0.00130   2.88802
   R61        2.63353   0.00002   0.00002   0.00002   0.00003   2.63357
   R62        2.07875   0.00008   0.00034  -0.00009   0.00025   2.07900
   R63        2.63478   0.00011   0.00027  -0.00013   0.00013   2.63491
   R64        2.08460   0.00004  -0.00093   0.00069  -0.00024   2.08436
   R65        2.63292   0.00002   0.00004   0.00004   0.00008   2.63300
   R66        2.07892   0.00004   0.00016   0.00003   0.00019   2.07911
   R67        2.63482  -0.00003   0.00003  -0.00002   0.00001   2.63483
   R68        2.07933   0.00002   0.00020  -0.00008   0.00012   2.07945
   R69        2.12311   0.00007   0.00069  -0.00027   0.00042   2.12353
   R70        2.11657   0.00012   0.00030  -0.00021   0.00009   2.11667
   R71        2.63568  -0.00004   0.00023  -0.00029  -0.00006   2.63562
   R72        2.07816   0.00005   0.00012  -0.00001   0.00010   2.07826
   R73        2.63526   0.00002   0.00020  -0.00014   0.00006   2.63532
   R74        2.07885   0.00010   0.00029  -0.00009   0.00021   2.07906
   R75        2.07795   0.00001  -0.00003   0.00005   0.00002   2.07797
   R76        2.63643  -0.00001   0.00001   0.00000   0.00002   2.63645
   R77        2.07831   0.00005   0.00016   0.00000   0.00016   2.07847
   R78        2.63483   0.00001   0.00000   0.00000   0.00001   2.63483
   R79        2.07810   0.00004   0.00013   0.00000   0.00012   2.07823
   R80        2.07765   0.00003   0.00008   0.00004   0.00011   2.07776
   R81        2.66322  -0.00121  -0.00232   0.00144  -0.00088   2.66234
   R82        2.65731  -0.00029   0.00086   0.00034   0.00119   2.65850
   R83        2.64167   0.00021   0.00120  -0.00037   0.00083   2.64251
   R84        2.79785   0.00004  -0.00132   0.00145   0.00013   2.79798
   R85        2.64630  -0.00054  -0.00183   0.00029  -0.00154   2.64476
   R86        2.79887  -0.00027  -0.00117   0.00068  -0.00049   2.79838
   R87        2.63369  -0.00026  -0.00094  -0.00002  -0.00096   2.63273
   R88        2.07986  -0.00003  -0.00014   0.00000  -0.00014   2.07973
   R89        2.62981   0.00037   0.00184  -0.00109   0.00075   2.63056
   R90        2.07962   0.00007   0.00020  -0.00010   0.00010   2.07973
   R91        2.11277  -0.00003  -0.00025   0.00030   0.00005   2.11282
   R92        2.11676   0.00012   0.00016   0.00008   0.00025   2.11701
   R93        2.11445   0.00017   0.00076   0.00023   0.00099   2.11543
   R94        2.11253  -0.00004  -0.00042   0.00017  -0.00025   2.11229
   R95        2.11438   0.00008   0.00031   0.00005   0.00036   2.11473
   R96        2.11505   0.00011   0.00054  -0.00003   0.00052   2.11556
   R97        2.07850   0.00012   0.00050  -0.00018   0.00032   2.07882
    A1        1.89734  -0.00022  -0.00627  -0.00955  -0.01582   1.88152
    A2        1.99687  -0.00076  -0.00206   0.00111  -0.00095   1.99592
    A3        2.06891   0.00006  -0.00721   0.00514  -0.00112   2.06779
    A4        2.05337  -0.00054  -0.00126   0.00532   0.00476   2.05813
    A5        2.08890   0.00044   0.00460   0.00171   0.00687   2.09576
    A6        2.17493   0.00022  -0.00572   0.00364  -0.00209   2.17285
    A7        2.03629   0.00045   0.00282  -0.00019   0.00263   2.03892
    A8        2.06554  -0.00065   0.00265  -0.00142   0.00122   2.06675
    A9        2.14176  -0.00036  -0.00448   0.00367  -0.00078   2.14098
   A10        2.02877   0.00035   0.00319  -0.00207   0.00117   2.02993
   A11        2.07026  -0.00002  -0.00016  -0.00125  -0.00137   2.06889
   A12        2.09852  -0.00003   0.01036  -0.00955   0.00788   2.10640
   A13        1.98955  -0.00025   0.02321  -0.02151   0.01656   2.00611
   A14        2.03783   0.00046   0.02246  -0.01875   0.01821   2.05604
   A15        2.00275  -0.00089  -0.00281   0.00128  -0.00153   2.00122
   A16        1.94138   0.00149   0.00317   0.00077   0.00393   1.94532
   A17        1.87812  -0.00010  -0.00020  -0.00128  -0.00149   1.87662
   A18        1.91128  -0.00039   0.00040  -0.00107  -0.00066   1.91062
   A19        1.84997   0.00006  -0.00310   0.00031  -0.00280   1.84717
   A20        1.87346  -0.00020   0.00257  -0.00011   0.00246   1.87592
   A21        1.99402   0.00041   0.00208   0.00148   0.00355   1.99757
   A22        1.91867   0.00006  -0.00131  -0.00149  -0.00281   1.91585
   A23        1.87311  -0.00042  -0.00210   0.00156  -0.00055   1.87256
   A24        1.90966   0.00001  -0.00119   0.00413   0.00295   1.91261
   A25        1.86670   0.00018   0.00235  -0.00252  -0.00017   1.86652
   A26        1.89872  -0.00028   0.00022  -0.00355  -0.00334   1.89538
   A27        2.00407  -0.00092   0.00082  -0.00019   0.00062   2.00469
   A28        1.88671   0.00026  -0.00154  -0.00132  -0.00286   1.88384
   A29        1.87388   0.00016  -0.00018   0.00296   0.00277   1.87665
   A30        1.90927   0.00010  -0.00461  -0.00022  -0.00483   1.90444
   A31        1.90651   0.00053   0.00396  -0.00262   0.00133   1.90783
   A32        1.87942  -0.00010   0.00171   0.00159   0.00329   1.88271
   A33        1.98177  -0.00023  -0.01081  -0.00185  -0.01253   1.96924
   A34        1.89480   0.00034  -0.00396   0.00847   0.00456   1.89936
   A35        1.83116   0.00001   0.01305  -0.01237   0.00061   1.83176
   A36        1.93593  -0.00030   0.00137  -0.00069   0.00085   1.93679
   A37        1.91910   0.00015   0.00155   0.00291   0.00444   1.92353
   A38        1.89676   0.00006  -0.00062   0.00329   0.00254   1.89930
   A39        1.90861  -0.00040  -0.00190   0.00137  -0.00051   1.90810
   A40        1.93908   0.00051   0.00225  -0.00068   0.00156   1.94064
   A41        1.89817  -0.00015  -0.00170   0.00126  -0.00043   1.89774
   A42        1.91354  -0.00009   0.00022  -0.00257  -0.00236   1.91118
   A43        1.89382   0.00018   0.00009   0.00032   0.00042   1.89424
   A44        1.91000  -0.00005   0.00095   0.00036   0.00131   1.91130
   A45        1.94435   0.00015   0.00287  -0.00411  -0.00125   1.94310
   A46        1.95263   0.00028   0.00127  -0.00235  -0.00107   1.95155
   A47        1.87878   0.00009  -0.00076   0.00349   0.00271   1.88149
   A48        1.90640  -0.00049   0.00023   0.00074   0.00099   1.90740
   A49        1.88274  -0.00004  -0.00446   0.00336  -0.00111   1.88163
   A50        1.89690   0.00002   0.00053  -0.00081  -0.00026   1.89664
   A51        1.95721   0.00159   0.00310   0.00082   0.00392   1.96113
   A52        1.91842  -0.00001  -0.00008  -0.00005  -0.00013   1.91830
   A53        1.87961  -0.00089  -0.00282  -0.00027  -0.00309   1.87651
   A54        1.91745  -0.00049   0.00034   0.00012   0.00046   1.91791
   A55        1.91421  -0.00045  -0.00155  -0.00018  -0.00172   1.91249
   A56        1.87477   0.00017   0.00085  -0.00051   0.00033   1.87511
   A57        2.14550   0.00029  -0.00136   0.00160   0.00024   2.14574
   A58        2.12154   0.00108   0.00196   0.00083   0.00280   2.12434
   A59        2.01454  -0.00136  -0.00089  -0.00238  -0.00327   2.01127
   A60        1.99363  -0.00079   0.00335  -0.00368   0.00076   1.99439
   A61        1.87876  -0.00007  -0.00248   0.00504   0.00247   1.88124
   A62        1.90391   0.00025  -0.00090  -0.00151  -0.00297   1.90094
   A63        1.90319   0.00045   0.00044   0.00098   0.00085   1.90404
   A64        1.89447   0.00027   0.00052  -0.00103  -0.00053   1.89395
   A65        1.88731  -0.00008  -0.00122   0.00042  -0.00066   1.88665
   A66        1.93346  -0.00020   0.00042   0.00053   0.00101   1.93448
   A67        1.89914  -0.00003   0.00045  -0.00051   0.00021   1.89936
   A68        1.91476   0.00012  -0.00134  -0.00090  -0.00254   1.91221
   A69        1.90642   0.00024  -0.00066   0.00091  -0.00003   1.90640
   A70        1.92563  -0.00015  -0.00014   0.00019   0.00030   1.92593
   A71        1.88350   0.00001   0.00128  -0.00024   0.00106   1.88456
   A72        1.97093   0.00014  -0.00039  -0.00050  -0.00089   1.97004
   A73        1.90559  -0.00018   0.00105   0.00030   0.00135   1.90695
   A74        1.87767  -0.00022  -0.00056   0.00096   0.00040   1.87807
   A75        1.92646   0.00014   0.00205  -0.00246  -0.00042   1.92604
   A76        1.90603   0.00001  -0.00062   0.00084   0.00022   1.90626
   A77        1.87408   0.00011  -0.00169   0.00104  -0.00065   1.87343
   A78        2.11291  -0.00053  -0.00060   0.00095   0.00179   2.11470
   A79        2.08293  -0.00011   0.00055  -0.00223  -0.00023   2.08270
   A80        2.08459   0.00064   0.00074   0.00167  -0.00049   2.08411
   A81        1.93308   0.00007   0.00050  -0.00052  -0.00002   1.93305
   A82        1.91321   0.00007   0.00075  -0.00073   0.00001   1.91323
   A83        1.93076  -0.00009  -0.00100   0.00122   0.00023   1.93098
   A84        1.89346  -0.00008  -0.00032   0.00004  -0.00028   1.89317
   A85        1.90146  -0.00001  -0.00036   0.00014  -0.00021   1.90125
   A86        1.89098   0.00004   0.00043  -0.00016   0.00027   1.89125
   A87        1.93127  -0.00006  -0.00089  -0.00004  -0.00093   1.93034
   A88        1.94022   0.00022   0.00062   0.00163   0.00225   1.94247
   A89        1.91686  -0.00009  -0.00100  -0.00016  -0.00116   1.91570
   A90        1.89226  -0.00002   0.00095  -0.00043   0.00052   1.89278
   A91        1.89338   0.00002   0.00018  -0.00056  -0.00038   1.89301
   A92        1.88865  -0.00007   0.00018  -0.00051  -0.00033   1.88832
   A93        1.98257  -0.00013  -0.00871   0.00724  -0.00399   1.97858
   A94        1.91315  -0.00019  -0.00362   0.00072  -0.00177   1.91138
   A95        1.87268   0.00030   0.01038  -0.00528   0.00556   1.87824
   A96        1.90744   0.00011   0.00210  -0.00196   0.00099   1.90843
   A97        1.90453  -0.00007   0.00077  -0.00087   0.00045   1.90498
   A98        1.88062  -0.00001  -0.00052  -0.00023  -0.00107   1.87955
   A99        2.09499  -0.00052  -0.00058  -0.00041  -0.00099   2.09400
   A100       2.10446   0.00102   0.00177   0.00027   0.00205   2.10651
   A101       2.08367  -0.00050  -0.00118   0.00009  -0.00108   2.08259
   A102       2.09866   0.00001   0.00085  -0.00036   0.00049   2.09915
   A103       2.10292   0.00008  -0.00063   0.00020  -0.00043   2.10248
   A104       2.08152  -0.00008  -0.00024   0.00018  -0.00005   2.08147
   A105       2.14085  -0.00012  -0.00274   0.00238  -0.00036   2.14050
   A106       2.06556   0.00014  -0.00103   0.00141   0.00039   2.06594
   A107       2.07542  -0.00003   0.00359  -0.00340   0.00020   2.07562
   A108       2.09992   0.00027   0.00076  -0.00007   0.00069   2.10061
   A109       2.08978  -0.00005   0.00038  -0.00007   0.00031   2.09009
   A110       2.09348  -0.00022  -0.00114   0.00014  -0.00100   2.09248
   A111       2.09663   0.00018   0.00102  -0.00039   0.00063   2.09726
   A112       2.09924   0.00037   0.00093   0.00039   0.00132   2.10056
   A113       2.08730  -0.00055  -0.00193   0.00000  -0.00194   2.08537
   A114       2.10006   0.00004   0.00022  -0.00022   0.00000   2.10007
   A115       2.08864  -0.00003   0.00016   0.00010   0.00025   2.08890
   A116       2.09446  -0.00002  -0.00038   0.00012  -0.00026   2.09421
   A117       2.10000   0.00001   0.00005  -0.00007  -0.00002   2.09998
   A118       2.09124   0.00001   0.00006   0.00018   0.00025   2.09148
   A119       2.09194  -0.00002  -0.00011  -0.00011  -0.00023   2.09172
   A120       1.93669  -0.00060   0.00120  -0.00207  -0.00087   1.93582
   A121       1.87122  -0.00005  -0.00117   0.00086  -0.00030   1.87091
   A122       1.95588   0.00029   0.00153  -0.00055   0.00099   1.95686
   A123       1.88239   0.00050   0.00157  -0.00006   0.00151   1.88390
   A124       1.89284  -0.00001  -0.00077   0.00047  -0.00030   1.89255
   A125       1.92361  -0.00013  -0.00238   0.00137  -0.00100   1.92260
   A126       2.09589   0.00006   0.00004  -0.00001   0.00004   2.09593
   A127       2.09255  -0.00007  -0.00051   0.00021  -0.00030   2.09225
   A128       2.09474   0.00001   0.00047  -0.00020   0.00027   2.09501
   A129       2.09844   0.00008   0.00000   0.00018   0.00018   2.09862
   A130       2.08855  -0.00004   0.00022  -0.00025  -0.00002   2.08852
   A131       2.09620  -0.00005  -0.00023   0.00007  -0.00016   2.09604
   A132       2.09181  -0.00009  -0.00065   0.00020  -0.00045   2.09136
   A133       2.09524   0.00008   0.00070  -0.00025   0.00044   2.09568
   A134       2.09613   0.00002  -0.00005   0.00006   0.00001   2.09614
   A135       2.09667   0.00002   0.00007   0.00001   0.00008   2.09675
   A136       2.09207  -0.00002  -0.00004  -0.00002  -0.00006   2.09201
   A137       2.09444   0.00000  -0.00003   0.00001  -0.00002   2.09442
   A138       2.09678   0.00003   0.00014  -0.00008   0.00006   2.09684
   A139       2.09187  -0.00002  -0.00014   0.00004  -0.00010   2.09177
   A140       2.09453  -0.00001   0.00001   0.00004   0.00004   2.09458
   A141       2.09133  -0.00002  -0.00025   0.00018  -0.00007   2.09126
   A142       2.09564   0.00001   0.00004  -0.00007  -0.00002   2.09561
   A143       2.09622   0.00001   0.00020  -0.00011   0.00009   2.09631
   A144       2.04779  -0.00075   0.00107   0.00031   0.00138   2.04917
   A145       2.11594   0.00003  -0.00365   0.00086  -0.00279   2.11314
   A146       2.11579   0.00071   0.00224  -0.00117   0.00107   2.11687
   A147       2.06931  -0.00019  -0.00068   0.00005  -0.00062   2.06869
   A148       2.11840  -0.00086  -0.00343   0.00211  -0.00132   2.11708
   A149       2.09545   0.00105   0.00410  -0.00215   0.00194   2.09740
   A150       2.07001  -0.00030  -0.00114   0.00053  -0.00060   2.06941
   A151       2.12368  -0.00068  -0.00477   0.00162  -0.00316   2.12053
   A152       2.08942   0.00098   0.00595  -0.00218   0.00377   2.09319
   A153       2.10691  -0.00021  -0.00097   0.00055  -0.00041   2.10650
   A154       2.08552  -0.00008  -0.00094   0.00038  -0.00057   2.08495
   A155       2.09075   0.00028   0.00191  -0.00093   0.00098   2.09173
   A156       2.10624  -0.00010  -0.00044   0.00024  -0.00020   2.10604
   A157       2.08213   0.00020   0.00181  -0.00063   0.00118   2.08331
   A158       2.09480  -0.00010  -0.00137   0.00039  -0.00098   2.09382
   A159       1.93627   0.00009   0.00112  -0.00068   0.00044   1.93671
   A160       1.91942   0.00018   0.00181  -0.00070   0.00112   1.92054
   A161       1.93184  -0.00021  -0.00351   0.00210  -0.00140   1.93043
   A162       1.88876  -0.00002   0.00068  -0.00094  -0.00025   1.88851
   A163       1.89008   0.00015   0.00237  -0.00116   0.00121   1.89128
   A164       1.89635  -0.00019  -0.00248   0.00135  -0.00112   1.89523
   A165       1.93663   0.00003   0.00099  -0.00055   0.00044   1.93708
   A166       1.92647  -0.00002  -0.00051   0.00028  -0.00023   1.92624
   A167       1.92630  -0.00008  -0.00178   0.00070  -0.00108   1.92522
   A168       1.89242   0.00008   0.00203  -0.00067   0.00136   1.89379
   A169       1.88883   0.00005   0.00092  -0.00034   0.00057   1.88940
   A170       1.89198  -0.00006  -0.00162   0.00057  -0.00105   1.89093
   A171       2.09766   0.00009   0.00118  -0.00029   0.00090   2.09856
   A172       2.09048   0.00015   0.00101  -0.00042   0.00059   2.09107
   A173       2.09503  -0.00024  -0.00219   0.00071  -0.00148   2.09354
    D1        0.28055   0.00047  -0.18037   0.23687   0.05637   0.33693
    D2       -1.88131   0.00076  -0.17236   0.23271   0.06057  -1.82073
    D3        2.37654   0.00053  -0.17593   0.23125   0.05522   2.43176
    D4        2.38228  -0.00036   0.00054  -0.00355  -0.00302   2.37927
    D5       -1.84940  -0.00012   0.00240  -0.00425  -0.00186  -1.85126
    D6        0.26344  -0.00013  -0.00039  -0.00231  -0.00270   0.26073
    D7       -2.13660   0.00005   0.02675  -0.00906   0.01769  -2.11892
    D8        1.09586   0.00004   0.03066  -0.00894   0.02172   1.11758
    D9        0.91294  -0.00031  -0.00908  -0.00157  -0.01038   0.90256
   D10       -1.24160  -0.00068  -0.00804  -0.00694  -0.01468  -1.25628
   D11        2.97926  -0.00013  -0.00634  -0.00278  -0.00884   2.97042
   D12       -2.62795  -0.00030  -0.01055   0.03092   0.02007  -2.60788
   D13        1.50069  -0.00066  -0.00951   0.02556   0.01577   1.51646
   D14       -0.56163  -0.00011  -0.00781   0.02972   0.02161  -0.54002
   D15        2.55051  -0.00014   0.01032   0.02481   0.03549   2.58600
   D16       -1.61664  -0.00013   0.01119   0.02731   0.03886  -1.57779
   D17        0.42730  -0.00013   0.00791   0.02978   0.03785   0.46514
   D18       -0.18349   0.00008   0.01382  -0.00922   0.00491  -0.17858
   D19        1.93254   0.00009   0.01469  -0.00673   0.00828   1.94082
   D20       -2.30671   0.00009   0.01141  -0.00426   0.00727  -2.29944
   D21        0.07146  -0.00019   0.02386  -0.04532  -0.02151   0.04994
   D22        3.13275  -0.00022   0.03548  -0.03977  -0.00392   3.12883
   D23        2.80902  -0.00027   0.01886  -0.01161   0.00755   2.81657
   D24       -0.41287  -0.00030   0.03048  -0.00607   0.02514  -0.38773
   D25       -0.94550   0.00039  -0.01519   0.02488   0.00969  -0.93582
   D26       -3.12721   0.00038  -0.01615   0.02468   0.00853  -3.11868
   D27        1.10853  -0.00014  -0.02091   0.02515   0.00425   1.11278
   D28        2.32006   0.00027  -0.01420   0.00558  -0.00862   2.31144
   D29        0.13835   0.00026  -0.01516   0.00537  -0.00979   0.12857
   D30       -1.90909  -0.00026  -0.01991   0.00585  -0.01406  -1.92315
   D31        0.15938   0.00026  -0.00141  -0.00997  -0.01138   0.14800
   D32       -3.04250   0.00037  -0.00616  -0.00904  -0.01520  -3.05770
   D33       -3.10810   0.00045  -0.00243   0.00972   0.00729  -3.10081
   D34       -0.02680   0.00057  -0.00717   0.01065   0.00347  -0.02332
   D35       -1.79348  -0.00004   0.04861  -0.02692   0.02168  -1.77180
   D36        2.35017   0.00029   0.04526  -0.02319   0.02207   2.37224
   D37        0.26729   0.00005   0.04434  -0.02304   0.02129   0.28858
   D38        1.03463  -0.00012   0.04392  -0.02597   0.01796   1.05258
   D39       -1.10491   0.00021   0.04057  -0.02224   0.01835  -1.08656
   D40        3.09539  -0.00003   0.03965  -0.02208   0.01756   3.11296
   D41       -0.10756  -0.00028  -0.01740   0.00933  -0.00808  -0.11564
   D42        3.09092  -0.00012  -0.01415   0.00110  -0.01306   3.07786
   D43       -2.92860  -0.00026  -0.01320   0.00847  -0.00471  -2.93331
   D44        0.26988  -0.00011  -0.00995   0.00024  -0.00969   0.26019
   D45       -2.85403  -0.00010  -0.06078   0.02926  -0.03020  -2.88422
   D46        0.36647  -0.00005  -0.07215   0.02366  -0.04756   0.31891
   D47       -0.30442   0.00037   0.11722  -0.06136   0.05471  -0.24971
   D48        2.91608   0.00042   0.10585  -0.06695   0.03735   2.95342
   D49        0.27139   0.00023   0.06281  -0.02478   0.03663   0.30803
   D50        2.41061   0.00014   0.05704  -0.02170   0.03383   2.44444
   D51       -1.83504   0.00019   0.06029  -0.02453   0.03471  -1.80032
   D52       -2.26256  -0.00001  -0.12019   0.06902  -0.04995  -2.31251
   D53       -0.12334  -0.00010  -0.12596   0.07210  -0.05276  -0.17609
   D54        1.91420  -0.00005  -0.12271   0.06927  -0.05187   1.86233
   D55       -0.90881  -0.00025   0.02022  -0.00565   0.01456  -0.89425
   D56        1.22780  -0.00054   0.01364  -0.00706   0.00659   1.23438
   D57       -3.03229  -0.00044   0.01476  -0.00435   0.01041  -3.02189
   D58        1.28859   0.00075   0.02265  -0.00452   0.01812   1.30672
   D59       -2.85798   0.00045   0.01607  -0.00593   0.01015  -2.84784
   D60       -0.83489   0.00055   0.01719  -0.00322   0.01397  -0.82092
   D61       -2.97874   0.00035   0.02421  -0.00501   0.01919  -2.95954
   D62       -0.84213   0.00006   0.01763  -0.00642   0.01122  -0.83091
   D63        1.18097   0.00016   0.01875  -0.00371   0.01504   1.19600
   D64       -1.08130  -0.00056   0.01697  -0.00661   0.01036  -1.07094
   D65        1.05704  -0.00009   0.01949  -0.00592   0.01356   1.07060
   D66        3.09433  -0.00039   0.01886  -0.00671   0.01215   3.10648
   D67        2.96979  -0.00021   0.01796  -0.00804   0.00991   2.97970
   D68       -1.17506   0.00026   0.02047  -0.00735   0.01312  -1.16194
   D69        0.86223  -0.00004   0.01985  -0.00814   0.01170   0.87394
   D70        0.96897   0.00002   0.02003  -0.00780   0.01223   0.98120
   D71        3.10731   0.00048   0.02254  -0.00711   0.01543   3.12274
   D72       -1.13858   0.00018   0.02192  -0.00790   0.01402  -1.12457
   D73        3.05312  -0.00018   0.00545  -0.00514   0.00031   3.05343
   D74        0.93855  -0.00012   0.00501  -0.00241   0.00260   0.94115
   D75       -1.16475  -0.00028   0.00354  -0.00324   0.00028  -1.16447
   D76       -1.07068   0.00021   0.00431  -0.00283   0.00150  -1.06918
   D77        3.09794   0.00027   0.00387  -0.00009   0.00379   3.10173
   D78        0.99464   0.00011   0.00240  -0.00093   0.00147   0.99611
   D79        0.98315  -0.00002   0.00525  -0.00625  -0.00099   0.98216
   D80       -1.13141   0.00003   0.00481  -0.00351   0.00129  -1.13012
   D81        3.04847  -0.00012   0.00333  -0.00435  -0.00103   3.04745
   D82        1.71127   0.00057   0.00706   0.01594   0.02300   1.73427
   D83       -1.37093   0.00048   0.01187   0.01499   0.02686  -1.34407
   D84       -0.49185  -0.00001   0.00618   0.01218   0.01836  -0.47349
   D85        2.70913  -0.00010   0.01099   0.01123   0.02222   2.73135
   D86       -2.52549  -0.00007   0.00391   0.01490   0.01881  -2.50668
   D87        0.67549  -0.00016   0.00872   0.01395   0.02267   0.69816
   D88        1.48623  -0.00010   0.04770  -0.06150  -0.01380   1.47242
   D89       -2.65764  -0.00005   0.03594  -0.05225  -0.01630  -2.67394
   D90       -0.55917  -0.00007   0.03706  -0.04669  -0.00964  -0.56881
   D91       -0.63816   0.00012   0.05263  -0.05947  -0.00685  -0.64501
   D92        1.50116   0.00017   0.04086  -0.05023  -0.00935   1.49181
   D93       -2.68356   0.00016   0.04199  -0.04466  -0.00268  -2.68624
   D94       -2.69133  -0.00012   0.05095  -0.05974  -0.00880  -2.70013
   D95       -0.55201  -0.00007   0.03918  -0.05049  -0.01129  -0.56331
   D96        1.54646  -0.00009   0.04030  -0.04493  -0.00463   1.54183
   D97       -1.09458  -0.00012  -0.03142   0.02892  -0.00250  -1.09709
   D98        1.07130  -0.00001  -0.02764   0.02362  -0.00403   1.06728
   D99        3.13022  -0.00029  -0.02934   0.02496  -0.00441   3.12580
   D100       2.99962   0.00013  -0.01619   0.02576   0.00960   3.00922
   D101      -1.11768   0.00024  -0.01241   0.02045   0.00808  -1.10960
   D102       0.94124  -0.00003  -0.01411   0.02179   0.00769   0.94893
   D103       0.88792   0.00009  -0.01856   0.02045   0.00190   0.88981
   D104       3.05380   0.00020  -0.01478   0.01515   0.00037   3.05418
   D105      -1.17047  -0.00008  -0.01648   0.01649  -0.00001  -1.17048
   D106      -1.07684  -0.00018   0.01259  -0.00299   0.00960  -1.06724
   D107       3.11760  -0.00018   0.01220  -0.00224   0.00995   3.12755
   D108       1.03337  -0.00021   0.01181  -0.00234   0.00947   1.04283
   D109       1.05314   0.00012   0.01430  -0.00459   0.00970   1.06284
   D110      -1.03561   0.00013   0.01390  -0.00384   0.01006  -1.02555
   D111      -3.11984   0.00010   0.01351  -0.00394   0.00957  -3.11027
   D112       3.13832   0.00013   0.01563  -0.00547   0.01016  -3.13471
   D113       1.04957   0.00013   0.01524  -0.00472   0.01051   1.06008
   D114      -1.03466   0.00010   0.01485  -0.00482   0.01002  -1.02464
   D115       0.89806  -0.00005   0.01216  -0.00331   0.00886   0.90692
   D116      -1.20563  -0.00013   0.01115  -0.00383   0.00732  -1.19831
   D117       2.98792  -0.00013   0.01119  -0.00413   0.00706   2.99498
   D118      -1.21360   0.00019   0.01293  -0.00288   0.01005  -1.20355
   D119       2.96588   0.00011   0.01192  -0.00340   0.00852   2.97441
   D120       0.87625   0.00011   0.01196  -0.00370   0.00826   0.88451
   D121       2.99436   0.00004   0.01211  -0.00194   0.01017   3.00453
   D122       0.89066  -0.00004   0.01110  -0.00246   0.00864   0.89930
   D123      -1.19897  -0.00003   0.01114  -0.00276   0.00837  -1.19059
   D124      -1.02108  -0.00016  -0.00661  -0.00729  -0.01390  -1.03499
   D125       1.12902  -0.00002  -0.00348  -0.01059  -0.01406   1.11496
   D126      -3.12560  -0.00011  -0.00522  -0.00869  -0.01390  -3.13950
   D127       3.10109  -0.00019  -0.01134  -0.00094  -0.01228   3.08881
   D128      -1.03199  -0.00005  -0.00820  -0.00424  -0.01244  -1.04443
   D129       0.99658  -0.00014  -0.00995  -0.00233  -0.01228   0.98430
   D130       1.05108   0.00013  -0.00644  -0.00492  -0.01137   1.03972
   D131      -3.08200   0.00027  -0.00330  -0.00822  -0.01152  -3.09353
   D132      -1.05343   0.00018  -0.00504  -0.00632  -0.01137  -1.06480
   D133      -1.57137   0.00059   0.02384  -0.00336   0.02048  -1.55089
   D134       1.58257   0.00072   0.02174   0.00064   0.02238   1.60496
   D135       2.57293  -0.00014   0.02156  -0.00395   0.01760   2.59054
   D136      -0.55631  -0.00002   0.01945   0.00005   0.01950  -0.53681
   D137       0.51606   0.00020   0.02126  -0.00330   0.01795   0.53402
   D138      -2.61318   0.00033   0.01915   0.00070   0.01985  -2.59333
   D139       0.77963  -0.00036  -0.01818   0.00541  -0.01238   0.76726
   D140       2.87568  -0.00019  -0.01844   0.00653  -0.01165   2.86403
   D141      -1.35053  -0.00013  -0.01739   0.00543  -0.01171  -1.36224
   D142      -1.32284  -0.00007  -0.01752   0.00068  -0.01668  -1.33952
   D143       0.77321   0.00010  -0.01778   0.00180  -0.01595   0.75726
   D144       2.83018   0.00016  -0.01673   0.00070  -0.01601   2.81417
   D145       2.90803  -0.00037  -0.01661   0.00021  -0.01607   2.89196
   D146      -1.27910  -0.00020  -0.01687   0.00133  -0.01534  -1.29445
   D147       0.77787  -0.00014  -0.01582   0.00023  -0.01540   0.76247
   D148      -0.82214  -0.00017  -0.01670   0.00893  -0.00715  -0.82929
   D149      -2.96450   0.00008  -0.00768   0.00441  -0.00284  -2.96734
   D150       1.26627   0.00007  -0.00870   0.00631  -0.00238   1.26389
   D151      -2.91383  -0.00017  -0.01710   0.00865  -0.00803  -2.92186
   D152       1.22699   0.00009  -0.00808   0.00413  -0.00372   1.22327
   D153      -0.82543   0.00008  -0.00910   0.00603  -0.00325  -0.82868
   D154       1.30165  -0.00024  -0.01819   0.00828  -0.00949   1.29216
   D155      -0.84071   0.00001  -0.00917   0.00375  -0.00517  -0.84588
   D156      -2.89313   0.00000  -0.01019   0.00566  -0.00471  -2.89784
   D157      -1.26547   0.00007   0.02943  -0.01671   0.01271  -1.25275
   D158       1.89053   0.00008   0.03092  -0.01845   0.01246   1.90299
   D159       2.87924   0.00011   0.02682  -0.01492   0.01190   2.89113
   D160      -0.24795   0.00012   0.02831  -0.01666   0.01164  -0.23631
   D161       0.82279  -0.00011   0.02805  -0.01524   0.01280   0.83559
   D162      -2.30440  -0.00010   0.02954  -0.01698   0.01255  -2.29185
   D163      -3.12789   0.00000  -0.00292   0.00259  -0.00033  -3.12822
   D164       0.01138   0.00004  -0.00278   0.00360   0.00082   0.01220
   D165       0.00150  -0.00012  -0.00082  -0.00136  -0.00218  -0.00068
   D166       3.14077  -0.00008  -0.00068  -0.00035  -0.00103   3.13974
   D167       3.12678   0.00001   0.00458  -0.00363   0.00095   3.12773
   D168      -0.02102   0.00018   0.00701  -0.00220   0.00481  -0.01622
   D169      -0.00255   0.00014   0.00249   0.00035   0.00284   0.00029
   D170       3.13284   0.00031   0.00491   0.00177   0.00669   3.13953
   D171      -3.12710   0.00001   0.00042  -0.00099  -0.00057  -3.12768
   D172       0.02028   0.00003   0.00022  -0.00122  -0.00100   0.01928
   D173       0.00026   0.00000  -0.00106   0.00073  -0.00033  -0.00007
   D174      -3.13554   0.00002  -0.00125   0.00050  -0.00075  -3.13629
   D175       3.12606  -0.00002  -0.00153   0.00155   0.00002   3.12608
   D176      -0.01822   0.00000   0.00089  -0.00054   0.00035  -0.01786
   D177      -0.00128  -0.00001  -0.00006  -0.00017  -0.00023  -0.00151
   D178       3.13764   0.00001   0.00236  -0.00226   0.00010   3.13774
   D179       2.69811   0.00003   0.03457  -0.01656   0.01801   2.71612
   D180       0.65344   0.00013   0.03438  -0.01641   0.01796   0.67141
   D181      -1.42963   0.00001   0.03675  -0.01828   0.01848  -1.41115
   D182      -0.49789  -0.00012   0.03140  -0.00865   0.02275  -0.47514
   D183      -2.54256  -0.00002   0.03120  -0.00850   0.02271  -2.51986
   D184       1.65755  -0.00015   0.03358  -0.01036   0.02322   1.68077
   D185       0.00082   0.00002  -0.00127   0.00143   0.00016   0.00098
   D186       3.14098   0.00004  -0.00062   0.00131   0.00069  -3.14151
   D187      -3.13845  -0.00002  -0.00141   0.00042  -0.00099  -3.13944
   D188       0.00171  -0.00001  -0.00076   0.00030  -0.00046   0.00125
   D189       0.00128  -0.00006  -0.00208   0.00059  -0.00149  -0.00021
   D190      -3.14150  -0.00002  -0.00301   0.00195  -0.00106   3.14063
   D191      -3.13415  -0.00023  -0.00450  -0.00082  -0.00532  -3.13947
   D192       0.00626  -0.00019  -0.00544   0.00054  -0.00489   0.00137
   D193       0.00124   0.00001   0.00111  -0.00066   0.00045   0.00169
   D194      -3.13868   0.00001   0.00108  -0.00036   0.00073  -3.13795
   D195       3.13702  -0.00001   0.00131  -0.00043   0.00088   3.13790
   D196      -0.00289  -0.00001   0.00128  -0.00013   0.00115  -0.00174
   D197       0.00079   0.00001   0.00114  -0.00046   0.00067   0.00146
   D198       3.14153   0.00002   0.00195  -0.00105   0.00090  -3.14076
   D199      -3.13812  -0.00001  -0.00128   0.00163   0.00034  -3.13778
   D200       0.00262   0.00000  -0.00047   0.00104   0.00057   0.00319
   D201      -0.00210   0.00005   0.00169  -0.00048   0.00122  -0.00089
   D202       3.13885   0.00001   0.00189  -0.00122   0.00067   3.13952
   D203       3.14093   0.00004   0.00104  -0.00036   0.00068  -3.14158
   D204      -0.00131   0.00000   0.00124  -0.00110   0.00014  -0.00117
   D205       0.00105  -0.00004  -0.00002  -0.00053  -0.00055   0.00050
   D206      -3.13990   0.00001  -0.00022   0.00021  -0.00001  -3.13990
   D207      -3.13935  -0.00008   0.00092  -0.00190  -0.00098  -3.14033
   D208       0.00288  -0.00003   0.00072  -0.00116  -0.00043   0.00245
   D209      -0.00173   0.00000  -0.00003   0.00002  -0.00001  -0.00174
   D210       3.14074   0.00000  -0.00024   0.00046   0.00021   3.14095
   D211       3.13819  -0.00001   0.00000  -0.00029  -0.00029   3.13790
   D212      -0.00253  -0.00001  -0.00022   0.00016  -0.00006  -0.00259
   D213       0.00072  -0.00001  -0.00109   0.00054  -0.00055   0.00017
   D214       3.14144  -0.00001  -0.00088   0.00010  -0.00078   3.14066
   D215      -3.14002  -0.00001  -0.00190   0.00113  -0.00077  -3.14080
   D216       0.00070  -0.00001  -0.00169   0.00069  -0.00100  -0.00030
   D217      -3.07387   0.00009   0.01101  -0.00246   0.00856  -3.06532
   D218       0.06150   0.00008   0.00880  -0.00104   0.00776   0.06926
   D219      -0.02314   0.00006   0.00677  -0.00246   0.00430  -0.01884
   D220       3.11223   0.00005   0.00455  -0.00104   0.00350   3.11573
   D221       3.07921  -0.00015  -0.01279   0.00290  -0.00989   3.06932
   D222      -0.04976  -0.00021  -0.01721   0.00587  -0.01134  -0.06110
   D223       0.03204  -0.00008  -0.00865   0.00294  -0.00571   0.02633
   D224      -3.09693  -0.00014  -0.01306   0.00591  -0.00716  -3.10409
   D225      -0.00147  -0.00001  -0.00061   0.00035  -0.00026  -0.00173
   D226       3.13979   0.00001   0.00079   0.00029   0.00108   3.14087
   D227      -3.13693   0.00001   0.00161  -0.00107   0.00054  -3.13639
   D228       0.00433   0.00003   0.00302  -0.00113   0.00188   0.00621
   D229      -2.77774  -0.00008  -0.06418   0.02367  -0.04052  -2.81826
   D230       1.41652  -0.00022  -0.06694   0.02573  -0.04121   1.37531
   D231      -0.67903   0.00003  -0.06280   0.02315  -0.03965  -0.71868
   D232       0.35754  -0.00010  -0.06646   0.02512  -0.04134   0.31620
   D233      -1.73138  -0.00024  -0.06922   0.02718  -0.04203  -1.77342
   D234       2.45625   0.00002  -0.06508   0.02461  -0.04047   2.41578
   D235      -0.01655   0.00006   0.00443  -0.00131   0.00313  -0.01343
   D236       3.13087   0.00007   0.00480  -0.00079   0.00402   3.13489
   D237       3.11267   0.00010   0.00870  -0.00420   0.00450   3.11717
   D238      -0.02309   0.00011   0.00907  -0.00368   0.00539  -0.01770
   D239       2.80043   0.00006   0.01271  -0.00489   0.00782   2.80825
   D240       0.70208  -0.00005   0.00985  -0.00388   0.00597   0.70805
   D241      -1.38903   0.00009   0.01334  -0.00522   0.00811  -1.38091
   D242      -0.32840   0.00001   0.00828  -0.00191   0.00638  -0.32202
   D243      -2.42675  -0.00010   0.00542  -0.00089   0.00453  -2.42222
   D244       1.76532   0.00004   0.00891  -0.00223   0.00668   1.77200
   D245       0.01664  -0.00004  -0.00352   0.00126  -0.00227   0.01437
   D246      -3.13083  -0.00002  -0.00229   0.00051  -0.00178  -3.13261
   D247      -3.12462  -0.00006  -0.00493   0.00132  -0.00361  -3.12823
   D248       0.01110  -0.00004  -0.00370   0.00058  -0.00313   0.00797
   D249      -0.00742   0.00001   0.00158  -0.00077   0.00081  -0.00661
   D250       3.14007  -0.00001   0.00033  -0.00002   0.00032   3.14038
   D251       3.12831   0.00001   0.00122  -0.00130  -0.00008   3.12822
   D252      -0.00739  -0.00002  -0.00003  -0.00055  -0.00058  -0.00797
         Item               Value     Threshold  Converged?
 Maximum Force            0.003523     0.000450     NO 
 RMS     Force            0.000409     0.000300     NO 
 Maximum Displacement     0.405907     0.001800     NO 
 RMS     Displacement     0.075478     0.001200     NO 
 Predicted change in Energy=-2.114325D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.214218   -0.043979   -1.007204
      2          8           0       -2.761918    0.194187   -2.494743
      3          8           0       -3.640564   -2.125050    1.339648
      4          8           0        2.301851    2.226352    2.261603
      5          8           0        3.516793   -1.033756    1.553413
      6          7           0       -2.879489   -2.618939   -0.802702
      7          7           0       -3.199741    0.407068   -0.243495
      8          7           0        2.145246    1.025962    0.304281
      9          7           0       -1.914647   -3.639016    1.179713
     10          6           0       -2.770243    1.778366   -0.093432
     11          6           0       -3.849073   -1.700227   -1.367962
     12          6           0       -1.381124    2.084437   -0.681961
     13          6           0       -0.274862    1.142690   -0.232793
     14          6           0       -4.375971   -2.104843   -2.761041
     15          6           0        1.115170    1.849253   -0.284612
     16          6           0       -2.813108    2.224917    1.382767
     17          6           0       -3.240396   -0.267407   -1.435671
     18          6           0       -1.733655   -2.994552   -1.606044
     19          6           0       -0.466735   -3.276326   -0.799931
     20          6           0        1.443176    2.220492   -1.743349
     21          6           0       -2.831144   -2.746723    0.599650
     22          6           0       -5.466500   -1.139352   -3.185215
     23          6           0       -4.926419   -3.516272   -2.749617
     24          6           0       -0.782769   -4.121873    0.429524
     25          6           0       -4.185667    2.164062    1.952864
     26          6           0        2.723015    2.964625   -1.876399
     27          6           0        2.628924    1.237593    1.572106
     28          6           0       -5.036477    3.271214    1.848135
     29          6           0       -4.635646    1.013133    2.612021
     30          6           0        2.816719    4.291970   -1.439326
     31          6           0        3.841962    2.354131   -2.454240
     32          6           0        3.659234    0.263461    2.142328
     33          6           0       -6.318304    3.228487    2.393371
     34          6           0       -5.918588    0.974098    3.156732
     35          6           0       -6.761306    2.079994    3.049063
     36          6           0        4.011081    4.995848   -1.578644
     37          6           0        5.035612    3.060965   -2.594388
     38          6           0        5.122364    4.382135   -2.157307
     39          6           0        4.720219   -1.637531    1.195339
     40          6           0        4.890394   -1.992606   -0.157369
     41          6           0        5.676316   -1.983910    2.167469
     42          6           0        6.049231   -2.683030   -0.525889
     43          6           0        6.827863   -2.667053    1.760048
     44          6           0        3.868960   -1.656555   -1.175211
     45          6           0        5.479904   -1.654253    3.597727
     46          6           0        7.014488   -3.010209    0.423945
     47          1           0       -3.500934    2.430399   -0.668462
     48          1           0       -4.743394   -1.681062   -0.668669
     49          1           0       -1.464052    2.047120   -1.803398
     50          1           0       -1.115101    3.134437   -0.391271
     51          1           0       -0.465998    0.792043    0.822918
     52          1           0       -3.530252   -2.037052   -3.501202
     53          1           0        1.042703    2.800861    0.323918
     54          1           0       -3.571751   -0.040922    0.569768
     55          1           0       -2.116948    1.590821    1.994463
     56          1           0       -2.433532    3.280711    1.427624
     57          1           0       -2.011400   -3.918265   -2.192177
     58          1           0       -1.513963   -2.164733   -2.341670
     59          1           0        0.259527   -3.827192   -1.449391
     60          1           0        0.008665   -2.305016   -0.494463
     61          1           0        1.467658    1.286616   -2.366749
     62          1           0        0.602597    2.858484   -2.128868
     63          1           0       -6.323516   -1.171397   -2.470087
     64          1           0       -5.841335   -1.419066   -4.199514
     65          1           0       -5.071853   -0.095273   -3.231482
     66          1           0       -5.668389   -3.642010   -1.924444
     67          1           0       -4.112890   -4.267462   -2.610547
     68          1           0       -5.436912   -3.730541   -3.720159
     69          1           0        0.123225   -4.161101    1.098550
     70          1           0       -1.014371   -5.177849    0.103249
     71          1           0        2.298239    0.138751   -0.121359
     72          1           0       -1.816428   -3.557137    2.169340
     73          1           0       -0.678634    0.121850   -1.839320
     74          1           0       -4.689636    4.179553    1.333380
     75          1           0       -3.980316    0.130566    2.702674
     76          1           0        1.942875    4.777166   -0.979474
     77          1           0        3.779942    1.310510   -2.797584
     78          1           0        3.458986    0.152648    3.242501
     79          1           0        4.680953    0.691743    1.977193
     80          1           0       -6.980020    4.102599    2.306478
     81          1           0       -6.263941    0.065438    3.671988
     82          1           0       -7.772052    2.047234    3.480889
     83          1           0        4.077232    6.036789   -1.229652
     84          1           0        5.909889    2.573890   -3.050295
     85          1           0        6.064153    4.938781   -2.267269
     86          1           0        6.197528   -2.968575   -1.578347
     87          1           0        7.587395   -2.938834    2.508674
     88          1           0        3.996282   -2.283745   -2.091987
     89          1           0        3.962134   -0.580275   -1.471774
     90          1           0        2.839055   -1.827507   -0.771210
     91          1           0        6.136142   -2.284008    4.247479
     92          1           0        4.414896   -1.827317    3.894579
     93          1           0        5.727887   -0.578949    3.786206
     94          1           0        7.924645   -3.546159    0.116511
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0845119      0.0409703      0.0361315
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3242.0986892496 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247331095996     A.U. after   15 cycles
             Convg  =    0.4048D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000736160    0.001298098    0.000879948
      2        8          -0.000762688   -0.000125250    0.000278963
      3        8           0.000125977    0.000084000    0.000171578
      4        8          -0.000224261   -0.000458017   -0.000285027
      5        8           0.000562163    0.000011189    0.000189186
      6        7          -0.000009976    0.000389098    0.001856149
      7        7          -0.000678019   -0.000243341    0.000853165
      8        7          -0.000045358   -0.000713715    0.000043978
      9        7          -0.003001080   -0.000496078   -0.000660498
     10        6           0.000692422   -0.000297181    0.000049045
     11        6           0.001098308   -0.000466986   -0.000616676
     12        6          -0.001314904    0.000112570   -0.001508237
     13        6          -0.000348013    0.000173332   -0.001003025
     14        6           0.000359666    0.000287720    0.000246991
     15        6          -0.000155648   -0.000046400   -0.000225547
     16        6           0.000233037   -0.000108217   -0.000226142
     17        6           0.001281514    0.000899940   -0.000468185
     18        6          -0.000277900    0.000427436   -0.001033320
     19        6          -0.001028278    0.000166555    0.000277595
     20        6          -0.000105123    0.000082621    0.000150936
     21        6           0.005474494   -0.001366932   -0.000735780
     22        6           0.000025576   -0.000023360   -0.000249541
     23        6           0.000054848   -0.000194127   -0.000205312
     24        6          -0.001559890    0.001516243   -0.001312545
     25        6          -0.000035265    0.000224305   -0.000086067
     26        6          -0.000066443    0.000014213   -0.000076709
     27        6           0.000109053    0.001029536    0.000164187
     28        6          -0.000184701    0.000102841    0.000080284
     29        6          -0.000008985   -0.000175545   -0.000213294
     30        6          -0.000013974   -0.000069890    0.000042224
     31        6           0.000046935   -0.000130836   -0.000065669
     32        6           0.000201689   -0.000179217    0.000184869
     33        6           0.000022547   -0.000124615    0.000029209
     34        6          -0.000018262    0.000066298   -0.000039633
     35        6           0.000020444    0.000078054   -0.000032709
     36        6           0.000019293    0.000000098    0.000034246
     37        6          -0.000036436    0.000066031    0.000020786
     38        6          -0.000009720   -0.000002899   -0.000045405
     39        6          -0.000016465   -0.000321304    0.000203333
     40        6          -0.000283814    0.000231973   -0.000401881
     41        6           0.000022382    0.000132903    0.000028880
     42        6           0.000351863    0.000069334   -0.000162772
     43        6          -0.000204653    0.000161585   -0.000234276
     44        6           0.000217169    0.000154155    0.000083225
     45        6          -0.000169956   -0.000084808    0.000072010
     46        6          -0.000219334   -0.000114478    0.000310865
     47        1          -0.000115126   -0.000000149   -0.000050570
     48        1           0.000193211    0.000011287    0.000064879
     49        1          -0.000633288   -0.000303144   -0.000238524
     50        1          -0.000236475    0.000169939    0.000051324
     51        1           0.000050914   -0.000198594   -0.000274768
     52        1           0.000157580   -0.000108784   -0.000257321
     53        1          -0.000070693    0.000009245    0.000056526
     54        1           0.000178044   -0.000056057    0.000055640
     55        1          -0.000081728   -0.000050647   -0.000020484
     56        1           0.000064831   -0.000006849   -0.000040779
     57        1          -0.000215217    0.000225082   -0.000128602
     58        1          -0.000068370    0.000120354   -0.000216405
     59        1          -0.000109746    0.000095216   -0.000063886
     60        1          -0.000002854    0.000101650    0.000150072
     61        1           0.000064675    0.000239602   -0.000036648
     62        1           0.000000763   -0.000038763   -0.000218360
     63        1          -0.000035343   -0.000049811    0.000021172
     64        1          -0.000020623    0.000053873   -0.000074046
     65        1           0.000075419   -0.000007376   -0.000036016
     66        1           0.000007424   -0.000031014    0.000010684
     67        1          -0.000017329   -0.000005237   -0.000015134
     68        1           0.000012667   -0.000007909    0.000050744
     69        1          -0.000217054    0.000086958   -0.000085774
     70        1           0.000000036   -0.000160250    0.000161334
     71        1           0.000040797   -0.000033321    0.000012774
     72        1          -0.001392031   -0.001049632    0.002296185
     73        1           0.001372534   -0.000963441    0.002515481
     74        1           0.000012878   -0.000003676   -0.000011157
     75        1          -0.000034341    0.000015159    0.000130631
     76        1           0.000063183    0.000033570   -0.000003317
     77        1          -0.000070570   -0.000059572    0.000004903
     78        1           0.000104070   -0.000009721    0.000108463
     79        1           0.000115761   -0.000038999   -0.000088777
     80        1           0.000002791   -0.000013981   -0.000026854
     81        1          -0.000010103    0.000006629    0.000084204
     82        1           0.000002589   -0.000011041    0.000033028
     83        1          -0.000006490    0.000006103    0.000002772
     84        1           0.000000073   -0.000004420    0.000000005
     85        1          -0.000009442    0.000009366    0.000014072
     86        1          -0.000097153    0.000007755    0.000021225
     87        1           0.000067149   -0.000012723    0.000040024
     88        1          -0.000070606   -0.000033609   -0.000093146
     89        1          -0.000095420    0.000099443   -0.000112421
     90        1           0.000144147   -0.000055504   -0.000079717
     91        1          -0.000029709   -0.000009218   -0.000022652
     92        1          -0.000018957   -0.000045923   -0.000024771
     93        1          -0.000050903    0.000025877    0.000027894
     94        1           0.000101644    0.000015323   -0.000057305
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005474494 RMS     0.000575130

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005827349 RMS     0.000539837
 Search for a local minimum.
 Step number  29 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   28   29
 DE= -1.13D-04 DEPred=-2.11D-04 R= 5.33D-01
 SS=  1.41D+00  RLast= 2.68D-01 DXNew= 2.4888D+00 8.0342D-01
 Trust test= 5.33D-01 RLast= 2.68D-01 DXMaxT set to 1.48D+00
     Eigenvalues ---    0.00037   0.00187   0.00207   0.00234   0.00246
     Eigenvalues ---    0.00257   0.00283   0.00336   0.00374   0.00405
     Eigenvalues ---    0.00446   0.00485   0.00528   0.00548   0.00552
     Eigenvalues ---    0.00663   0.00688   0.00703   0.00943   0.01041
     Eigenvalues ---    0.01270   0.01352   0.01377   0.01400   0.01440
     Eigenvalues ---    0.01447   0.01495   0.01526   0.01591   0.01711
     Eigenvalues ---    0.02007   0.02015   0.02084   0.02116   0.02128
     Eigenvalues ---    0.02143   0.02150   0.02151   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02186   0.02187
     Eigenvalues ---    0.02188   0.02192   0.02288   0.02338   0.02379
     Eigenvalues ---    0.02585   0.02837   0.03060   0.03210   0.03545
     Eigenvalues ---    0.03744   0.03812   0.03973   0.04012   0.04187
     Eigenvalues ---    0.04345   0.04396   0.04516   0.04704   0.04753
     Eigenvalues ---    0.04795   0.04981   0.04993   0.05073   0.05176
     Eigenvalues ---    0.05336   0.05393   0.05435   0.05487   0.05562
     Eigenvalues ---    0.05596   0.05632   0.05642   0.05674   0.05922
     Eigenvalues ---    0.05957   0.06400   0.06791   0.07013   0.07122
     Eigenvalues ---    0.07136   0.07227   0.07358   0.07509   0.07527
     Eigenvalues ---    0.07809   0.08034   0.08312   0.08740   0.09228
     Eigenvalues ---    0.09346   0.09545   0.09689   0.10931   0.11573
     Eigenvalues ---    0.12144   0.12603   0.12874   0.12978   0.14045
     Eigenvalues ---    0.14303   0.15524   0.15875   0.15946   0.15970
     Eigenvalues ---    0.15996   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16003   0.16005   0.16007   0.16013   0.16023
     Eigenvalues ---    0.16056   0.16177   0.16214   0.16521   0.16571
     Eigenvalues ---    0.16878   0.17682   0.18746   0.18957   0.19356
     Eigenvalues ---    0.19951   0.20331   0.21102   0.21283   0.21907
     Eigenvalues ---    0.21983   0.22000   0.22000   0.22003   0.22062
     Eigenvalues ---    0.22350   0.22420   0.23000   0.23276   0.23385
     Eigenvalues ---    0.23451   0.23506   0.23789   0.24050   0.24525
     Eigenvalues ---    0.24725   0.24860   0.24924   0.25012   0.25084
     Eigenvalues ---    0.25188   0.25541   0.25859   0.26189   0.26910
     Eigenvalues ---    0.26976   0.27874   0.27956   0.27962   0.28319
     Eigenvalues ---    0.28570   0.28970   0.29226   0.29770   0.30010
     Eigenvalues ---    0.30246   0.30858   0.31482   0.32257   0.32611
     Eigenvalues ---    0.33090   0.33615   0.34195   0.34439   0.34481
     Eigenvalues ---    0.34525   0.34598   0.34640   0.34661   0.34685
     Eigenvalues ---    0.34702   0.34712   0.34727   0.34740   0.34744
     Eigenvalues ---    0.34750   0.34757   0.34760   0.34776   0.34780
     Eigenvalues ---    0.34790   0.34802   0.34806   0.34815   0.34830
     Eigenvalues ---    0.34831   0.34843   0.34870   0.34899   0.34950
     Eigenvalues ---    0.35094   0.35272   0.35647   0.35842   0.35891
     Eigenvalues ---    0.35920   0.35939   0.35946   0.35968   0.35985
     Eigenvalues ---    0.35992   0.36002   0.36008   0.36026   0.36034
     Eigenvalues ---    0.36063   0.37163   0.37204   0.39019   0.40770
     Eigenvalues ---    0.40850   0.40984   0.42228   0.42280   0.42351
     Eigenvalues ---    0.42770   0.43063   0.43841   0.44941   0.45046
     Eigenvalues ---    0.45781   0.46111   0.46135   0.46180   0.46290
     Eigenvalues ---    0.46441   0.46513   0.46684   0.46768   0.46796
     Eigenvalues ---    0.46864   0.46970   0.47476   0.48162   0.50058
     Eigenvalues ---    0.50980   0.54541   0.56383   0.58148   0.59656
     Eigenvalues ---    0.71863   0.80500   0.90123   0.91646   0.94071
     Eigenvalues ---    0.983481000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    29   28   27   26   25
 RFO step:  Lambda=-2.17032417D-04.
 DIIS coeffs:     -0.01078      1.40412     -1.27879     -0.41223      1.29769
 Iteration  1 RMS(Cart)=  0.03308237 RMS(Int)=  0.00049711
 Iteration  2 RMS(Cart)=  0.00031893 RMS(Int)=  0.00048128
 Iteration  3 RMS(Cart)=  0.00000004 RMS(Int)=  0.00048128
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68020   0.00394   0.00570  -0.00614  -0.00044   2.67976
    R2        1.82786   0.00083  -0.00008   0.00013   0.00005   1.82791
    R3        2.36302   0.00040  -0.00020   0.00021   0.00001   2.36303
    R4        2.38228  -0.00015  -0.00023   0.00039   0.00016   2.38244
    R5        2.36029   0.00035   0.00067  -0.00067   0.00000   2.36028
    R6        2.70560  -0.00003  -0.00009  -0.00001  -0.00010   2.70550
    R7        2.63276  -0.00053  -0.00025   0.00035   0.00010   2.63285
    R8        2.74085  -0.00229  -0.00178   0.00266   0.00088   2.74173
    R9        2.73807  -0.00246   0.00198  -0.00227   0.00023   2.73830
   R10        2.66261  -0.00082   0.00437  -0.00277   0.00144   2.66405
   R11        2.73028   0.00016   0.00077  -0.00043   0.00034   2.73061
   R12        2.58958  -0.00062  -0.00009  -0.00001  -0.00010   2.58948
   R13        1.89018  -0.00002  -0.00012   0.00030   0.00018   1.89036
   R14        2.72911   0.00051   0.00018  -0.00010   0.00008   2.72919
   R15        2.59527   0.00043   0.00047  -0.00046   0.00001   2.59528
   R16        1.88188   0.00003   0.00017  -0.00025  -0.00008   1.88181
   R17        2.65413  -0.00583  -0.00890   0.00755  -0.00209   2.65204
   R18        2.72349  -0.00230  -0.00491   0.00531  -0.00017   2.72332
   R19        1.88567  -0.00285  -0.00346   0.00249  -0.00096   1.88470
   R20        2.90901  -0.00029   0.00048  -0.00049  -0.00002   2.90899
   R21        2.91558   0.00032  -0.00123   0.00170   0.00047   2.91605
   R22        2.14608   0.00010   0.00042  -0.00057  -0.00014   2.14594
   R23        2.91655  -0.00070  -0.00006   0.00076   0.00070   2.91726
   R24        2.94461  -0.00063  -0.00316   0.00326   0.00010   2.94471
   R25        2.14564  -0.00009  -0.00041   0.00045   0.00005   2.14569
   R26        2.87366   0.00201   0.00328  -0.00352  -0.00024   2.87342
   R27        2.12617   0.00016  -0.00003  -0.00013  -0.00016   2.12600
   R28        2.11933  -0.00006  -0.00006  -0.00006  -0.00012   2.11921
   R29        2.94828   0.00026   0.00180  -0.00243  -0.00063   2.94765
   R30        2.13298   0.00002  -0.00025   0.00033   0.00008   2.13305
   R31        2.86675  -0.00003   0.00007   0.00014   0.00020   2.86696
   R32        2.86295  -0.00025  -0.00169   0.00192   0.00023   2.86318
   R33        2.12766   0.00004   0.00023  -0.00017   0.00006   2.12773
   R34        2.91123  -0.00018   0.00026  -0.00045  -0.00019   2.91104
   R35        2.13891  -0.00003  -0.00001   0.00014   0.00013   2.13905
   R36        2.81095   0.00027  -0.00091   0.00129   0.00038   2.81133
   R37        2.12196  -0.00008  -0.00024   0.00021  -0.00003   2.12193
   R38        2.12188   0.00001   0.00030  -0.00045  -0.00015   2.12173
   R39        2.88720  -0.00144  -0.00119   0.00052  -0.00006   2.88714
   R40        2.13291  -0.00007   0.00026  -0.00022   0.00004   2.13295
   R41        2.13632  -0.00008   0.00003  -0.00019  -0.00016   2.13616
   R42        2.88231  -0.00013   0.00046  -0.00016   0.00055   2.88286
   R43        2.11507  -0.00015  -0.00037   0.00045   0.00009   2.11515
   R44        2.12353  -0.00018  -0.00022   0.00017  -0.00005   2.12348
   R45        2.80891   0.00012  -0.00019   0.00026   0.00007   2.80898
   R46        2.12235   0.00003   0.00007  -0.00011  -0.00004   2.12231
   R47        2.12309  -0.00001  -0.00006   0.00008   0.00002   2.12311
   R48        2.11017  -0.00004  -0.00015   0.00015  -0.00001   2.11016
   R49        2.11070  -0.00006  -0.00020   0.00017  -0.00003   2.11067
   R50        2.11108   0.00000  -0.00003   0.00004   0.00001   2.11109
   R51        2.11044  -0.00003  -0.00024   0.00027   0.00003   2.11047
   R52        2.10893  -0.00002   0.00000   0.00002   0.00002   2.10895
   R53        2.11148   0.00004   0.00005  -0.00003   0.00002   2.11150
   R54        2.12958  -0.00014  -0.00027   0.00040   0.00012   2.12971
   R55        2.13395   0.00005   0.00004   0.00008   0.00012   2.13407
   R56        2.64604   0.00009  -0.00004   0.00007   0.00003   2.64607
   R57        2.64670  -0.00011  -0.00107   0.00120   0.00013   2.64683
   R58        2.64674  -0.00004  -0.00016   0.00023   0.00007   2.64681
   R59        2.64470   0.00003   0.00000   0.00002   0.00002   2.64472
   R60        2.88802   0.00063   0.00076  -0.00120  -0.00044   2.88759
   R61        2.63357  -0.00008  -0.00014   0.00012  -0.00002   2.63355
   R62        2.07900   0.00000   0.00001  -0.00004  -0.00003   2.07897
   R63        2.63491   0.00007   0.00014  -0.00012   0.00002   2.63493
   R64        2.08436   0.00001  -0.00085   0.00094   0.00009   2.08445
   R65        2.63300  -0.00003  -0.00009   0.00009   0.00000   2.63301
   R66        2.07911  -0.00003  -0.00009   0.00009   0.00000   2.07911
   R67        2.63483  -0.00005  -0.00005   0.00004  -0.00001   2.63483
   R68        2.07945  -0.00005  -0.00001  -0.00001  -0.00002   2.07943
   R69        2.12353  -0.00006   0.00000  -0.00014  -0.00013   2.12340
   R70        2.11667   0.00010   0.00035  -0.00030   0.00005   2.11672
   R71        2.63562   0.00007   0.00036  -0.00037  -0.00001   2.63561
   R72        2.07826   0.00001  -0.00003   0.00003   0.00000   2.07826
   R73        2.63532   0.00000   0.00006  -0.00009  -0.00003   2.63529
   R74        2.07906   0.00001  -0.00001  -0.00001  -0.00003   2.07903
   R75        2.07797  -0.00002  -0.00012   0.00012   0.00000   2.07797
   R76        2.63645  -0.00006  -0.00006   0.00006   0.00001   2.63646
   R77        2.07847   0.00000  -0.00006   0.00006  -0.00001   2.07846
   R78        2.63483  -0.00001  -0.00002   0.00004   0.00001   2.63485
   R79        2.07823   0.00000  -0.00005   0.00004   0.00000   2.07823
   R80        2.07776  -0.00002  -0.00012   0.00011  -0.00001   2.07776
   R81        2.66234  -0.00083  -0.00121   0.00154   0.00033   2.66267
   R82        2.65850  -0.00042  -0.00046   0.00047   0.00001   2.65851
   R83        2.64251   0.00008   0.00027  -0.00041  -0.00014   2.64237
   R84        2.79798  -0.00027  -0.00117   0.00143   0.00025   2.79823
   R85        2.64476  -0.00016  -0.00025   0.00027   0.00002   2.64478
   R86        2.79838  -0.00012  -0.00041   0.00050   0.00009   2.79848
   R87        2.63273  -0.00009  -0.00007   0.00003  -0.00004   2.63269
   R88        2.07973   0.00002  -0.00003   0.00003  -0.00001   2.07972
   R89        2.63056   0.00023   0.00100  -0.00120  -0.00019   2.63037
   R90        2.07973   0.00004   0.00006  -0.00008  -0.00002   2.07970
   R91        2.11282  -0.00010  -0.00060   0.00052  -0.00008   2.11275
   R92        2.11701   0.00003  -0.00002   0.00009   0.00006   2.11707
   R93        2.11543  -0.00011  -0.00036   0.00036   0.00000   2.11543
   R94        2.11229  -0.00003  -0.00021   0.00023   0.00002   2.11230
   R95        2.11473  -0.00003  -0.00015   0.00014  -0.00001   2.11472
   R96        2.11556  -0.00002  -0.00005   0.00004  -0.00001   2.11556
   R97        2.07882   0.00005   0.00014  -0.00016  -0.00002   2.07880
    A1        1.88152   0.00463   0.00834  -0.01046  -0.00212   1.87941
    A2        1.99592  -0.00067  -0.00129   0.00153   0.00024   1.99617
    A3        2.06779  -0.00032  -0.00747   0.00653   0.00043   2.06822
    A4        2.05813  -0.00013  -0.00840   0.00632  -0.00083   2.05730
    A5        2.09576   0.00034  -0.00282   0.00210  -0.00017   2.09559
    A6        2.17285   0.00083  -0.00260   0.00299   0.00051   2.17336
    A7        2.03892  -0.00031  -0.00109   0.00087  -0.00010   2.03882
    A8        2.06675  -0.00053   0.00108  -0.00176  -0.00056   2.06620
    A9        2.14098  -0.00066  -0.00430   0.00462   0.00035   2.14133
   A10        2.02993   0.00027   0.00265  -0.00266   0.00002   2.02995
   A11        2.06889   0.00034   0.00119  -0.00149  -0.00028   2.06860
   A12        2.10640   0.00021   0.01005  -0.01141   0.00150   2.10789
   A13        2.00611  -0.00046   0.01956  -0.02480   0.00172   2.00784
   A14        2.05604   0.00022   0.01722  -0.02205   0.00196   2.05800
   A15        2.00122   0.00056  -0.00014   0.00025   0.00011   2.00133
   A16        1.94532   0.00001  -0.00340   0.00385   0.00046   1.94577
   A17        1.87662  -0.00020   0.00067  -0.00077  -0.00011   1.87651
   A18        1.91062  -0.00059   0.00125  -0.00173  -0.00048   1.91014
   A19        1.84717   0.00016   0.00146  -0.00124   0.00021   1.84738
   A20        1.87592   0.00005   0.00047  -0.00069  -0.00021   1.87571
   A21        1.99757  -0.00030  -0.00237   0.00326   0.00088   1.99845
   A22        1.91585   0.00016   0.00412  -0.00423  -0.00010   1.91576
   A23        1.87256   0.00002  -0.00228   0.00207  -0.00019   1.87237
   A24        1.91261  -0.00001  -0.00566   0.00631   0.00065   1.91327
   A25        1.86652   0.00021   0.00213  -0.00277  -0.00065   1.86588
   A26        1.89538  -0.00006   0.00450  -0.00522  -0.00073   1.89466
   A27        2.00469  -0.00094  -0.00163   0.00099  -0.00066   2.00404
   A28        1.88384   0.00028   0.00281  -0.00225   0.00056   1.88440
   A29        1.87665  -0.00004  -0.00349   0.00344  -0.00007   1.87658
   A30        1.90444   0.00086   0.00045  -0.00067  -0.00023   1.90421
   A31        1.90783   0.00018   0.00429  -0.00362   0.00067   1.90851
   A32        1.88271  -0.00033  -0.00258   0.00231  -0.00026   1.88245
   A33        1.96924   0.00293   0.00034  -0.00165  -0.00118   1.96805
   A34        1.89936  -0.00114  -0.01443   0.01203  -0.00243   1.89693
   A35        1.83176  -0.00057   0.01949  -0.01705   0.00243   1.83419
   A36        1.93679  -0.00107   0.00221  -0.00188   0.00041   1.93720
   A37        1.92353  -0.00071  -0.00388   0.00425   0.00043   1.92397
   A38        1.89930   0.00054  -0.00335   0.00392   0.00044   1.89975
   A39        1.90810  -0.00038  -0.00246   0.00224  -0.00021   1.90789
   A40        1.94064   0.00013   0.00103  -0.00051   0.00051   1.94115
   A41        1.89774  -0.00007  -0.00204   0.00228   0.00024   1.89798
   A42        1.91118   0.00027   0.00366  -0.00427  -0.00062   1.91056
   A43        1.89424   0.00010  -0.00014  -0.00001  -0.00013   1.89411
   A44        1.91130  -0.00006  -0.00014   0.00034   0.00019   1.91150
   A45        1.94310   0.00015   0.00554  -0.00523   0.00030   1.94340
   A46        1.95155   0.00039   0.00236  -0.00279  -0.00043   1.95113
   A47        1.88149  -0.00017  -0.00341   0.00414   0.00071   1.88221
   A48        1.90740  -0.00042  -0.00104   0.00067  -0.00035   1.90705
   A49        1.88163   0.00008  -0.00523   0.00476  -0.00048   1.88116
   A50        1.89664  -0.00004   0.00136  -0.00114   0.00024   1.89689
   A51        1.96113  -0.00021  -0.00345   0.00358   0.00013   1.96126
   A52        1.91830   0.00004  -0.00060   0.00071   0.00011   1.91841
   A53        1.87651   0.00011   0.00240  -0.00259  -0.00019   1.87632
   A54        1.91791   0.00012  -0.00005   0.00065   0.00060   1.91851
   A55        1.91249   0.00002   0.00163  -0.00191  -0.00029   1.91220
   A56        1.87511  -0.00007   0.00029  -0.00071  -0.00041   1.87469
   A57        2.14574   0.00030  -0.00217   0.00205  -0.00012   2.14562
   A58        2.12434   0.00011  -0.00135   0.00157   0.00022   2.12456
   A59        2.01127  -0.00038   0.00328  -0.00344  -0.00016   2.01111
   A60        1.99439  -0.00085   0.00490  -0.00472   0.00039   1.99479
   A61        1.88124  -0.00013  -0.00757   0.00741  -0.00014   1.88110
   A62        1.90094   0.00032   0.00298  -0.00253   0.00034   1.90127
   A63        1.90404   0.00057  -0.00073   0.00087  -0.00004   1.90400
   A64        1.89395   0.00014   0.00091  -0.00122  -0.00021   1.89374
   A65        1.88665  -0.00003  -0.00084   0.00044  -0.00038   1.88627
   A66        1.93448  -0.00035  -0.00059   0.00066   0.00010   1.93458
   A67        1.89936   0.00003   0.00062  -0.00066   0.00011   1.89947
   A68        1.91221   0.00014   0.00233  -0.00177   0.00040   1.91261
   A69        1.90640   0.00027  -0.00087   0.00096  -0.00002   1.90638
   A70        1.92593  -0.00004  -0.00108   0.00068  -0.00032   1.92561
   A71        1.88456  -0.00004  -0.00040   0.00012  -0.00027   1.88429
   A72        1.97004   0.00022   0.00076  -0.00087  -0.00011   1.96993
   A73        1.90695  -0.00019  -0.00096   0.00073  -0.00022   1.90672
   A74        1.87807  -0.00017  -0.00126   0.00109  -0.00017   1.87790
   A75        1.92604   0.00015   0.00322  -0.00310   0.00011   1.92616
   A76        1.90626  -0.00015  -0.00097   0.00129   0.00031   1.90657
   A77        1.87343   0.00013  -0.00101   0.00108   0.00008   1.87350
   A78        2.11470  -0.00022  -0.00168   0.00084   0.00007   2.11477
   A79        2.08270  -0.00035   0.00100  -0.00204  -0.00012   2.08258
   A80        2.08411   0.00055   0.00074   0.00138   0.00020   2.08431
   A81        1.93305   0.00008   0.00072  -0.00075  -0.00002   1.93303
   A82        1.91323   0.00009   0.00101  -0.00110  -0.00008   1.91314
   A83        1.93098  -0.00014  -0.00154   0.00179   0.00025   1.93124
   A84        1.89317  -0.00007  -0.00022   0.00009  -0.00013   1.89304
   A85        1.90125   0.00001  -0.00019   0.00021   0.00002   1.90127
   A86        1.89125   0.00004   0.00021  -0.00026  -0.00004   1.89120
   A87        1.93034   0.00000   0.00020  -0.00016   0.00004   1.93038
   A88        1.94247  -0.00003  -0.00187   0.00242   0.00055   1.94302
   A89        1.91570   0.00003   0.00038  -0.00046  -0.00009   1.91561
   A90        1.89278   0.00001   0.00032  -0.00043  -0.00011   1.89267
   A91        1.89301   0.00000   0.00065  -0.00081  -0.00016   1.89285
   A92        1.88832  -0.00001   0.00039  -0.00064  -0.00026   1.88806
   A93        1.97858  -0.00009  -0.00794   0.00873  -0.00048   1.97810
   A94        1.91138  -0.00018  -0.00251   0.00160  -0.00032   1.91106
   A95        1.87824   0.00028   0.00866  -0.00755   0.00134   1.87958
   A96        1.90843   0.00012   0.00166  -0.00223  -0.00014   1.90829
   A97        1.90498  -0.00016   0.00000  -0.00060  -0.00032   1.90466
   A98        1.87955   0.00005   0.00054  -0.00042  -0.00005   1.87950
   A99        2.09400   0.00002   0.00116  -0.00118  -0.00002   2.09399
   A100       2.10651   0.00001  -0.00133   0.00132   0.00000   2.10650
   A101       2.08259  -0.00003   0.00023  -0.00022   0.00001   2.08260
   A102       2.09915  -0.00015   0.00038  -0.00037   0.00002   2.09917
   A103       2.10248   0.00023  -0.00009   0.00009   0.00001   2.10249
   A104       2.08147  -0.00008  -0.00032   0.00030  -0.00003   2.08144
   A105       2.14050  -0.00076  -0.00269   0.00307   0.00040   2.14089
   A106       2.06594  -0.00049  -0.00184   0.00193   0.00010   2.06604
   A107       2.07562   0.00123   0.00409  -0.00449  -0.00039   2.07523
   A108       2.10061   0.00002  -0.00021   0.00019  -0.00002   2.10059
   A109       2.09009  -0.00002   0.00003  -0.00013  -0.00009   2.09000
   A110       2.09248   0.00000   0.00017  -0.00006   0.00012   2.09260
   A111       2.09726   0.00004   0.00033  -0.00037  -0.00004   2.09721
   A112       2.10056   0.00000  -0.00103   0.00096  -0.00007   2.10048
   A113       2.08537  -0.00003   0.00070  -0.00058   0.00012   2.08549
   A114       2.10007   0.00006   0.00031  -0.00030   0.00001   2.10008
   A115       2.08890  -0.00006  -0.00020   0.00017  -0.00003   2.08886
   A116       2.09421   0.00000  -0.00012   0.00014   0.00002   2.09423
   A117       2.09998   0.00003   0.00011  -0.00010   0.00001   2.09999
   A118       2.09148   0.00000  -0.00025   0.00023  -0.00002   2.09147
   A119       2.09172  -0.00002   0.00014  -0.00013   0.00001   2.09173
   A120       1.93582   0.00133   0.00246  -0.00301  -0.00055   1.93527
   A121       1.87091  -0.00062  -0.00045   0.00104   0.00059   1.87150
   A122       1.95686  -0.00026   0.00013  -0.00037  -0.00024   1.95662
   A123       1.88390  -0.00026  -0.00023   0.00017  -0.00007   1.88383
   A124       1.89255  -0.00021  -0.00067   0.00070   0.00003   1.89258
   A125       1.92260   0.00002  -0.00126   0.00151   0.00024   1.92285
   A126       2.09593   0.00001   0.00004  -0.00003   0.00001   2.09594
   A127       2.09225  -0.00002  -0.00017   0.00022   0.00004   2.09229
   A128       2.09501   0.00001   0.00014  -0.00019  -0.00006   2.09495
   A129       2.09862  -0.00001  -0.00033   0.00033   0.00000   2.09862
   A130       2.08852  -0.00001   0.00035  -0.00038  -0.00003   2.08849
   A131       2.09604   0.00002  -0.00002   0.00005   0.00003   2.09608
   A132       2.09136  -0.00002  -0.00006   0.00011   0.00004   2.09141
   A133       2.09568   0.00002   0.00016  -0.00022  -0.00006   2.09562
   A134       2.09614   0.00001  -0.00009   0.00011   0.00002   2.09616
   A135       2.09675   0.00000  -0.00003   0.00002  -0.00001   2.09674
   A136       2.09201  -0.00001   0.00001  -0.00001   0.00000   2.09202
   A137       2.09442   0.00001   0.00002  -0.00001   0.00001   2.09443
   A138       2.09684   0.00002   0.00012  -0.00011   0.00001   2.09685
   A139       2.09177  -0.00001  -0.00002   0.00003   0.00001   2.09178
   A140       2.09458  -0.00001  -0.00009   0.00008  -0.00002   2.09456
   A141       2.09126  -0.00003  -0.00018   0.00019   0.00001   2.09127
   A142       2.09561   0.00002   0.00009  -0.00008   0.00001   2.09562
   A143       2.09631   0.00001   0.00009  -0.00011  -0.00002   2.09630
   A144       2.04917  -0.00004  -0.00056   0.00034  -0.00021   2.04895
   A145       2.11314  -0.00032  -0.00062   0.00096   0.00034   2.11349
   A146       2.11687   0.00035   0.00121  -0.00136  -0.00015   2.11671
   A147       2.06869  -0.00005  -0.00012   0.00013   0.00001   2.06869
   A148       2.11708  -0.00040  -0.00266   0.00261  -0.00006   2.11702
   A149       2.09740   0.00044   0.00278  -0.00272   0.00005   2.09745
   A150       2.06941  -0.00006  -0.00061   0.00064   0.00002   2.06944
   A151       2.12053  -0.00034  -0.00139   0.00176   0.00037   2.12089
   A152       2.09319   0.00041   0.00203  -0.00243  -0.00040   2.09280
   A153       2.10650  -0.00007  -0.00051   0.00057   0.00007   2.10657
   A154       2.08495  -0.00007  -0.00058   0.00055  -0.00003   2.08492
   A155       2.09173   0.00013   0.00108  -0.00113  -0.00004   2.09169
   A156       2.10604  -0.00010  -0.00016   0.00024   0.00008   2.10612
   A157       2.08331   0.00012   0.00077  -0.00081  -0.00004   2.08327
   A158       2.09382  -0.00002  -0.00060   0.00056  -0.00004   2.09378
   A159       1.93671   0.00015   0.00118  -0.00106   0.00012   1.93683
   A160       1.92054   0.00004   0.00072  -0.00079  -0.00007   1.92047
   A161       1.93043  -0.00025  -0.00256   0.00260   0.00004   1.93047
   A162       1.88851   0.00001   0.00114  -0.00122  -0.00008   1.88843
   A163       1.89128   0.00007   0.00152  -0.00143   0.00009   1.89137
   A164       1.89523  -0.00001  -0.00199   0.00188  -0.00010   1.89513
   A165       1.93708   0.00006   0.00064  -0.00072  -0.00008   1.93700
   A166       1.92624   0.00001  -0.00008   0.00019   0.00011   1.92635
   A167       1.92522  -0.00004  -0.00071   0.00079   0.00008   1.92530
   A168       1.89379   0.00000   0.00044  -0.00060  -0.00016   1.89362
   A169       1.88940   0.00001   0.00023  -0.00032  -0.00009   1.88931
   A170       1.89093  -0.00004  -0.00051   0.00065   0.00013   1.89106
   A171       2.09856  -0.00008   0.00028  -0.00030  -0.00002   2.09854
   A172       2.09107   0.00015   0.00071  -0.00065   0.00006   2.09113
   A173       2.09354  -0.00007  -0.00099   0.00096  -0.00003   2.09351
    D1        0.33693   0.00063  -0.36384   0.32232  -0.04150   0.29542
    D2       -1.82073   0.00082  -0.35671   0.31706  -0.03945  -1.86018
    D3        2.43176   0.00102  -0.35551   0.31566  -0.04007   2.39169
    D4        2.37927   0.00020   0.00733  -0.00388   0.00345   2.38272
    D5       -1.85126   0.00025   0.00814  -0.00472   0.00342  -1.84784
    D6        0.26073  -0.00029   0.00636  -0.00239   0.00396   0.26470
    D7       -2.11892  -0.00045   0.01053  -0.01005   0.00049  -2.11843
    D8        1.11758  -0.00046   0.01012  -0.00935   0.00077   1.11835
    D9        0.90256  -0.00023   0.00549  -0.00524   0.00057   0.90313
   D10       -1.25628  -0.00011   0.01146  -0.01266  -0.00087  -1.25715
   D11        2.97042  -0.00013   0.00518  -0.00533   0.00016   2.97058
   D12       -2.60788  -0.00044  -0.03896   0.03817  -0.00110  -2.60898
   D13        1.51646  -0.00033  -0.03299   0.03075  -0.00254   1.51392
   D14       -0.54002  -0.00035  -0.03927   0.03808  -0.00152  -0.54153
   D15        2.58600  -0.00036  -0.03882   0.03473  -0.00391   2.58209
   D16       -1.57779  -0.00028  -0.04212   0.03813  -0.00381  -1.58160
   D17        0.46514  -0.00021  -0.04568   0.04136  -0.00416   0.46098
   D18       -0.17858  -0.00003   0.00847  -0.01058  -0.00206  -0.18064
   D19        1.94082   0.00005   0.00517  -0.00718  -0.00196   1.93886
   D20       -2.29944   0.00012   0.00161  -0.00395  -0.00231  -2.30176
   D21        0.04994   0.00026   0.06317  -0.06048   0.00262   0.05256
   D22        3.12883  -0.00016   0.06264  -0.05709   0.00569   3.13452
   D23        2.81657  -0.00010   0.01622  -0.01537   0.00105   2.81762
   D24       -0.38773  -0.00052   0.01570  -0.01198   0.00411  -0.38361
   D25       -0.93582  -0.00070  -0.03203   0.02941  -0.00263  -0.93845
   D26       -3.11868  -0.00036  -0.03078   0.02834  -0.00245  -3.12113
   D27        1.11278  -0.00030  -0.02985   0.02748  -0.00238   1.11040
   D28        2.31144  -0.00058  -0.00689   0.00587  -0.00102   2.31042
   D29        0.12857  -0.00023  -0.00563   0.00479  -0.00083   0.12774
   D30       -1.92315  -0.00018  -0.00471   0.00394  -0.00076  -1.92391
   D31        0.14800  -0.00045   0.01688  -0.01556   0.00131   0.14931
   D32       -3.05770   0.00003   0.01259  -0.01227   0.00032  -3.05738
   D33       -3.10081  -0.00056  -0.00880   0.00848  -0.00031  -3.10112
   D34       -0.02332  -0.00008  -0.01308   0.01177  -0.00130  -0.02462
   D35       -1.77180  -0.00012   0.03721  -0.03327   0.00393  -1.76787
   D36        2.37224   0.00004   0.03280  -0.02834   0.00447   2.37671
   D37        0.28858  -0.00004   0.03191  -0.02793   0.00396   0.29254
   D38        1.05258  -0.00019   0.03614  -0.03198   0.00415   1.05674
   D39       -1.08656  -0.00004   0.03172  -0.02705   0.00469  -1.08187
   D40        3.11296  -0.00011   0.03083  -0.02664   0.00419   3.11714
   D41       -0.11564  -0.00042  -0.01111   0.01324   0.00212  -0.11352
   D42        3.07786  -0.00009  -0.00202   0.00154  -0.00048   3.07737
   D43       -2.93331  -0.00032  -0.01026   0.01209   0.00184  -2.93147
   D44        0.26019   0.00000  -0.00117   0.00039  -0.00076   0.25942
   D45       -2.88422  -0.00007  -0.04112   0.03979  -0.00076  -2.88499
   D46        0.31891   0.00033  -0.04048   0.03636  -0.00378   0.31513
   D47       -0.24971  -0.00009   0.09692  -0.08590   0.01054  -0.23917
   D48        2.95342   0.00031   0.09757  -0.08933   0.00752   2.96095
   D49        0.30803  -0.00010   0.03761  -0.03557   0.00141   0.30943
   D50        2.44444  -0.00015   0.03257  -0.03121   0.00066   2.44510
   D51       -1.80032  -0.00004   0.03671  -0.03507   0.00118  -1.79914
   D52       -2.31251   0.00011  -0.10495   0.09424  -0.01014  -2.32265
   D53       -0.17609   0.00006  -0.10999   0.09860  -0.01089  -0.18698
   D54        1.86233   0.00017  -0.10584   0.09474  -0.01037   1.85196
   D55       -0.89425  -0.00043  -0.00201   0.00370   0.00169  -0.89255
   D56        1.23438   0.00025  -0.00045   0.00182   0.00137   1.23576
   D57       -3.02189  -0.00001  -0.00384   0.00515   0.00131  -3.02057
   D58        1.30672  -0.00047  -0.00565   0.00765   0.00199   1.30871
   D59       -2.84784   0.00021  -0.00409   0.00576   0.00167  -2.84616
   D60       -0.82092  -0.00005  -0.00748   0.00909   0.00162  -0.81931
   D61       -2.95954  -0.00061  -0.00372   0.00535   0.00162  -2.95792
   D62       -0.83091   0.00007  -0.00216   0.00346   0.00130  -0.82961
   D63        1.19600  -0.00019  -0.00555   0.00679   0.00125   1.19725
   D64       -1.07094   0.00010   0.02250  -0.02708  -0.00458  -1.07552
   D65        1.07060   0.00014   0.01962  -0.02324  -0.00363   1.06697
   D66        3.10648   0.00014   0.02100  -0.02516  -0.00417   3.10231
   D67        2.97970  -0.00019   0.02429  -0.02898  -0.00469   2.97501
   D68       -1.16194  -0.00015   0.02140  -0.02514  -0.00374  -1.16568
   D69        0.87394  -0.00015   0.02278  -0.02707  -0.00428   0.86965
   D70        0.98120  -0.00011   0.02169  -0.02627  -0.00458   0.97661
   D71        3.12274  -0.00007   0.01880  -0.02244  -0.00364   3.11911
   D72       -1.12457  -0.00007   0.02018  -0.02436  -0.00418  -1.12874
   D73        3.05343   0.00010  -0.00268   0.00083  -0.00183   3.05160
   D74        0.94115  -0.00007  -0.00627   0.00501  -0.00125   0.93990
   D75       -1.16447  -0.00004  -0.00540   0.00343  -0.00197  -1.16643
   D76       -1.06918   0.00008  -0.00339   0.00259  -0.00080  -1.06998
   D77        3.10173  -0.00010  -0.00698   0.00677  -0.00021   3.10152
   D78        0.99611  -0.00006  -0.00612   0.00519  -0.00093   0.99518
   D79        0.98216   0.00011   0.00013  -0.00181  -0.00168   0.98048
   D80       -1.13012  -0.00006  -0.00346   0.00237  -0.00109  -1.13121
   D81        3.04745  -0.00002  -0.00259   0.00079  -0.00181   3.04564
   D82        1.73427   0.00002  -0.01709   0.01289  -0.00419   1.73009
   D83       -1.34407  -0.00045  -0.01283   0.00962  -0.00319  -1.34727
   D84       -0.47349   0.00030  -0.01294   0.00724  -0.00571  -0.47920
   D85        2.73135  -0.00017  -0.00869   0.00397  -0.00472   2.72663
   D86       -2.50668   0.00009  -0.01488   0.01001  -0.00489  -2.51156
   D87        0.69816  -0.00038  -0.01062   0.00674  -0.00389   0.69427
   D88        1.47242   0.00064   0.10754  -0.08637   0.02114   1.49356
   D89       -2.67394   0.00048   0.09070  -0.07328   0.01744  -2.65651
   D90       -0.56881  -0.00002   0.08535  -0.06677   0.01856  -0.55026
   D91       -0.64501   0.00028   0.10468  -0.08362   0.02105  -0.62396
   D92        1.49181   0.00012   0.08785  -0.07053   0.01734   1.50915
   D93       -2.68624  -0.00038   0.08250  -0.06402   0.01846  -2.66778
   D94       -2.70013   0.00008   0.10505  -0.08394   0.02110  -2.67902
   D95       -0.56331  -0.00008   0.08821  -0.07085   0.01740  -0.54591
   D96        1.54183  -0.00058   0.08286  -0.06434   0.01852   1.56034
   D97       -1.09709   0.00090  -0.03939   0.04216   0.00276  -1.09433
   D98        1.06728   0.00121  -0.03330   0.03549   0.00218   1.06945
   D99        3.12580   0.00098  -0.03515   0.03719   0.00201   3.12782
   D100       3.00922  -0.00129  -0.03144   0.03708   0.00568   3.01490
   D101      -1.10960  -0.00099  -0.02535   0.03040   0.00510  -1.10450
   D102       0.94893  -0.00122  -0.02720   0.03211   0.00493   0.95386
   D103       0.88981  -0.00008  -0.02580   0.03040   0.00458   0.89439
   D104       3.05418   0.00022  -0.01971   0.02373   0.00400   3.05818
   D105      -1.17048  -0.00001  -0.02156   0.02543   0.00384  -1.16665
   D106      -1.06724  -0.00009   0.00241  -0.00270  -0.00030  -1.06754
   D107       3.12755  -0.00011   0.00157  -0.00164  -0.00006   3.12749
   D108       1.04283  -0.00012   0.00163  -0.00174  -0.00011   1.04272
   D109       1.06284   0.00001   0.00443  -0.00462  -0.00019   1.06265
   D110      -1.02555  -0.00001   0.00359  -0.00356   0.00004  -1.02551
   D111      -3.11027  -0.00003   0.00365  -0.00366  -0.00001  -3.11028
   D112      -3.13471   0.00015   0.00632  -0.00672  -0.00040  -3.13511
   D113       1.06008   0.00013   0.00549  -0.00565  -0.00016   1.05992
   D114      -1.02464   0.00011   0.00554  -0.00576  -0.00021  -1.02485
   D115       0.90692  -0.00006   0.00329  -0.00528  -0.00200   0.90492
   D116      -1.19831  -0.00005   0.00400  -0.00625  -0.00226  -1.20057
   D117       2.99498  -0.00004   0.00446  -0.00669  -0.00223   2.99275
   D118      -1.20355   0.00015   0.00327  -0.00492  -0.00165  -1.20520
   D119       2.97441   0.00016   0.00398  -0.00589  -0.00191   2.97249
   D120       0.88451   0.00017   0.00444  -0.00632  -0.00188   0.88263
   D121       3.00453  -0.00010   0.00131  -0.00255  -0.00124   3.00329
   D122       0.89930  -0.00009   0.00202  -0.00352  -0.00150   0.89780
   D123      -1.19059  -0.00008   0.00248  -0.00395  -0.00147  -1.19207
   D124      -1.03499  -0.00008   0.00263  -0.00829  -0.00566  -1.04064
   D125       1.11496   0.00013   0.00659  -0.01235  -0.00575   1.10921
   D126      -3.13950   0.00009   0.00422  -0.01009  -0.00587   3.13781
   D127       3.08881  -0.00023  -0.00535  -0.00016  -0.00550   3.08331
   D128      -1.04443  -0.00003  -0.00138  -0.00422  -0.00559  -1.05002
   D129       0.98430  -0.00006  -0.00375  -0.00196  -0.00571   0.97858
   D130       1.03972  -0.00007   0.00072  -0.00559  -0.00488   1.03484
   D131      -3.09353   0.00013   0.00469  -0.00965  -0.00497  -3.09849
   D132      -1.06480   0.00010   0.00232  -0.00740  -0.00509  -1.06989
   D133      -1.55089  -0.00001   0.00214   0.00102   0.00316  -1.54772
   D134       1.60496  -0.00006  -0.00406   0.00764   0.00358   1.60853
   D135       2.59054   0.00000   0.00534  -0.00285   0.00249   2.59303
   D136      -0.53681  -0.00005  -0.00086   0.00377   0.00291  -0.53390
   D137       0.53402   0.00000   0.00404  -0.00123   0.00281   0.53683
   D138      -2.59333  -0.00005  -0.00216   0.00538   0.00322  -2.59010
   D139       0.76726  -0.00033  -0.00843   0.00812  -0.00018   0.76707
   D140       2.86403  -0.00019  -0.00947   0.00928  -0.00008   2.86395
   D141      -1.36224  -0.00014  -0.00824   0.00803  -0.00011  -1.36235
   D142      -1.33952  -0.00001  -0.00141   0.00112  -0.00024  -1.33976
   D143       0.75726   0.00013  -0.00245   0.00228  -0.00013   0.75712
   D144       2.81417   0.00017  -0.00123   0.00103  -0.00017   2.81400
   D145       2.89196  -0.00038  -0.00052   0.00080   0.00036   2.89232
   D146      -1.29445  -0.00024  -0.00156   0.00196   0.00046  -1.29398
   D147       0.76247  -0.00019  -0.00033   0.00070   0.00043   0.76290
   D148      -0.82929  -0.00014  -0.01143   0.01173   0.00064  -0.82865
   D149      -2.96734   0.00007  -0.00403   0.00527   0.00149  -2.96585
   D150       1.26389   0.00004  -0.00563   0.00741   0.00180   1.26570
   D151      -2.92186  -0.00013  -0.01128   0.01153   0.00046  -2.92141
   D152       1.22327   0.00008  -0.00388   0.00507   0.00130   1.22458
   D153      -0.82868   0.00005  -0.00548   0.00721   0.00162  -0.82706
   D154       1.29216  -0.00022  -0.00962   0.01040   0.00099   1.29315
   D155      -0.84588  -0.00001  -0.00222   0.00393   0.00184  -0.84405
   D156      -2.89784  -0.00004  -0.00382   0.00607   0.00215  -2.89568
   D157      -1.25275   0.00011   0.02329  -0.02158   0.00170  -1.25105
   D158       1.90299   0.00014   0.02536  -0.02368   0.00167   1.90466
   D159       2.89113   0.00009   0.02161  -0.01963   0.00198   2.89312
   D160      -0.23631   0.00012   0.02368  -0.02173   0.00195  -0.23436
   D161       0.83559  -0.00006   0.02152  -0.01989   0.00163   0.83723
   D162      -2.29185  -0.00003   0.02359  -0.02199   0.00160  -2.29025
   D163      -3.12822  -0.00003  -0.00377   0.00394   0.00017  -3.12804
   D164       0.01220  -0.00005  -0.00510   0.00534   0.00024   0.01244
   D165      -0.00068   0.00002   0.00234  -0.00258  -0.00024  -0.00091
   D166       3.13974   0.00000   0.00101  -0.00117  -0.00017   3.13957
   D167       3.12773   0.00007   0.00500  -0.00511  -0.00011   3.12762
   D168      -0.01622  -0.00004   0.00336  -0.00378  -0.00042  -0.01663
   D169       0.00029   0.00001  -0.00117   0.00147   0.00030   0.00059
   D170       3.13953  -0.00010  -0.00280   0.00280   0.00000   3.13953
   D171      -3.12768   0.00002   0.00160  -0.00140   0.00020  -3.12748
   D172       0.01928   0.00005   0.00203  -0.00186   0.00016   0.01944
   D173      -0.00007  -0.00001  -0.00044   0.00068   0.00023   0.00017
   D174      -3.13629   0.00002  -0.00001   0.00021   0.00020  -3.13609
   D175       3.12608  -0.00003  -0.00202   0.00196  -0.00006   3.12602
   D176      -0.01786   0.00002   0.00024  -0.00058  -0.00034  -0.01820
   D177      -0.00151   0.00000   0.00002  -0.00011  -0.00009  -0.00160
   D178       3.13774   0.00005   0.00228  -0.00265  -0.00037   3.13736
   D179       2.71612  -0.00013   0.02016  -0.01724   0.00292   2.71905
   D180       0.67141   0.00002   0.01947  -0.01691   0.00256   0.67396
   D181      -1.41115   0.00026   0.02148  -0.01919   0.00228  -1.40887
   D182      -0.47514  -0.00045   0.01142  -0.00600   0.00542  -0.46972
   D183      -2.51986  -0.00030   0.01072  -0.00567   0.00505  -2.51480
   D184       1.68077  -0.00006   0.01273  -0.00795   0.00478   1.68555
   D185       0.00098  -0.00003  -0.00193   0.00199   0.00006   0.00104
   D186      -3.14151  -0.00002  -0.00199   0.00207   0.00008  -3.14144
   D187      -3.13944  -0.00002  -0.00060   0.00058  -0.00001  -3.13945
   D188       0.00125   0.00000  -0.00066   0.00066   0.00001   0.00126
   D189      -0.00021  -0.00004  -0.00041   0.00022  -0.00019  -0.00039
   D190       3.14063  -0.00008  -0.00195   0.00175  -0.00020   3.14042
   D191      -3.13947   0.00007   0.00121  -0.00110   0.00012  -3.13935
   D192       0.00137   0.00003  -0.00033   0.00043   0.00010   0.00147
   D193       0.00169   0.00001   0.00044  -0.00064  -0.00020   0.00149
   D194      -3.13795   0.00001   0.00010  -0.00030  -0.00020  -3.13815
   D195       3.13790  -0.00002   0.00001  -0.00017  -0.00016   3.13774
   D196      -0.00174  -0.00002  -0.00033   0.00017  -0.00016  -0.00191
   D197       0.00146   0.00000   0.00040  -0.00049  -0.00009   0.00137
   D198      -3.14076   0.00001   0.00096  -0.00115  -0.00019  -3.14095
   D199      -3.13778  -0.00004  -0.00186   0.00205   0.00019  -3.13759
   D200       0.00319  -0.00003  -0.00130   0.00139   0.00009   0.00327
   D201      -0.00089   0.00001   0.00034  -0.00028   0.00006  -0.00083
   D202       3.13952   0.00005   0.00140  -0.00131   0.00009   3.13961
   D203      -3.14158   0.00000   0.00040  -0.00036   0.00004  -3.14154
   D204      -0.00117   0.00003   0.00146  -0.00139   0.00007  -0.00110
   D205       0.00050   0.00003   0.00083  -0.00083   0.00001   0.00051
   D206      -3.13990  -0.00001  -0.00023   0.00021  -0.00003  -3.13993
   D207      -3.14033   0.00007   0.00238  -0.00236   0.00002  -3.14031
   D208       0.00245   0.00003   0.00132  -0.00133  -0.00001   0.00244
   D209      -0.00174   0.00000  -0.00002   0.00003   0.00001  -0.00173
   D210       3.14095  -0.00001  -0.00052   0.00055   0.00002   3.14097
   D211       3.13790   0.00000   0.00032  -0.00031   0.00002   3.13792
   D212      -0.00259  -0.00001  -0.00018   0.00021   0.00003  -0.00257
   D213       0.00017  -0.00001  -0.00040   0.00053   0.00013   0.00030
   D214       3.14066   0.00000   0.00010   0.00002   0.00012   3.14078
   D215      -3.14080  -0.00002  -0.00096   0.00119   0.00023  -3.14057
   D216      -0.00030   0.00000  -0.00046   0.00068   0.00022  -0.00008
   D217      -3.06532   0.00000   0.00303  -0.00255   0.00050  -3.06482
   D218       0.06926  -0.00007   0.00186  -0.00092   0.00095   0.07021
   D219      -0.01884  -0.00002   0.00335  -0.00311   0.00024  -0.01860
   D220       3.11573  -0.00009   0.00218  -0.00148   0.00069   3.11642
   D221       3.06932   0.00000  -0.00349   0.00304  -0.00046   3.06887
   D222      -0.06110  -0.00007  -0.00674   0.00689   0.00016  -0.06093
   D223       0.02633   0.00000  -0.00382   0.00366  -0.00016   0.02617
   D224      -3.10409  -0.00007  -0.00706   0.00752   0.00046  -3.10363
   D225      -0.00173   0.00002  -0.00065   0.00047  -0.00018  -0.00191
   D226       3.14087  -0.00001  -0.00050   0.00048  -0.00002   3.14084
   D227      -3.13639   0.00009   0.00053  -0.00116  -0.00062  -3.13701
   D228       0.00621   0.00006   0.00069  -0.00115  -0.00047   0.00574
   D229      -2.81826   0.00000  -0.03357   0.03125  -0.00233  -2.82059
   D230       1.37531  -0.00013  -0.03622   0.03396  -0.00226   1.37305
   D231      -0.71868   0.00002  -0.03259   0.03047  -0.00211  -0.72079
   D232       0.31620  -0.00007  -0.03478   0.03291  -0.00187   0.31433
   D233      -1.77342  -0.00020  -0.03743   0.03563  -0.00180  -1.77522
   D234       2.41578  -0.00005  -0.03379   0.03214  -0.00165   2.41413
   D235      -0.01343   0.00002   0.00160  -0.00159   0.00001  -0.01341
   D236       3.13489   0.00000   0.00116  -0.00094   0.00022   3.13511
   D237       3.11717   0.00009   0.00476  -0.00536  -0.00059   3.11658
   D238      -0.01770   0.00007   0.00432  -0.00470  -0.00038  -0.01808
   D239       2.80825   0.00005   0.00631  -0.00602   0.00029   2.80853
   D240       0.70805   0.00001   0.00539  -0.00492   0.00047   0.70852
   D241      -1.38091   0.00008   0.00654  -0.00636   0.00018  -1.38074
   D242      -0.32202  -0.00002   0.00304  -0.00213   0.00091  -0.32111
   D243      -2.42222  -0.00006   0.00213  -0.00104   0.00109  -2.42113
   D244       1.77200   0.00000   0.00328  -0.00247   0.00080   1.77280
   D245       0.01437  -0.00001  -0.00153   0.00157   0.00004   0.01441
   D246      -3.13261  -0.00002  -0.00077   0.00072  -0.00005  -3.13266
   D247      -3.12823   0.00002  -0.00168   0.00157  -0.00012  -3.12835
   D248       0.00797   0.00001  -0.00092   0.00072  -0.00021   0.00776
   D249      -0.00661  -0.00001   0.00105  -0.00100   0.00004  -0.00657
   D250       3.14038   0.00000   0.00028  -0.00014   0.00013   3.14052
   D251       3.12822   0.00001   0.00150  -0.00166  -0.00016   3.12806
   D252      -0.00797   0.00002   0.00073  -0.00080  -0.00007  -0.00805
         Item               Value     Threshold  Converged?
 Maximum Force            0.005827     0.000450     NO 
 RMS     Force            0.000540     0.000300     NO 
 Maximum Displacement     0.164938     0.001800     NO 
 RMS     Displacement     0.033076     0.001200     NO 
 Predicted change in Energy=-1.194084D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.202027   -0.049020   -1.036247
      2          8           0       -2.771615    0.163245   -2.500112
      3          8           0       -3.624811   -2.119163    1.359295
      4          8           0        2.274655    2.192156    2.272319
      5          8           0        3.515807   -1.049469    1.525952
      6          7           0       -2.881376   -2.634579   -0.785040
      7          7           0       -3.199737    0.397668   -0.249259
      8          7           0        2.141400    1.017089    0.297680
      9          7           0       -1.896838   -3.629394    1.200339
     10          6           0       -2.769453    1.770384   -0.113366
     11          6           0       -3.855183   -1.719784   -1.350591
     12          6           0       -1.381562    2.070478   -0.707815
     13          6           0       -0.275728    1.131006   -0.253290
     14          6           0       -4.395403   -2.135687   -2.735633
     15          6           0        1.111971    1.842371   -0.289660
     16          6           0       -2.808467    2.231808    1.358620
     17          6           0       -3.246242   -0.287894   -1.434816
     18          6           0       -1.742214   -3.018687   -1.594053
     19          6           0       -0.467516   -3.289298   -0.796482
     20          6           0        1.447702    2.227660   -1.742878
     21          6           0       -2.820970   -2.747696    0.618867
     22          6           0       -5.490223   -1.173572   -3.156800
     23          6           0       -4.946331   -3.546838   -2.708244
     24          6           0       -0.770998   -4.120207    0.446406
     25          6           0       -4.180737    2.183142    1.931102
     26          6           0        2.722144    2.983656   -1.860353
     27          6           0        2.613718    1.215133    1.571972
     28          6           0       -5.027749    3.291891    1.813118
     29          6           0       -4.633836    1.042504    2.605971
     30          6           0        2.801778    4.307664   -1.410435
     31          6           0        3.850069    2.387885   -2.436127
     32          6           0        3.643646    0.238491    2.137957
     33          6           0       -6.308983    3.260785    2.360503
     34          6           0       -5.916232    1.015125    3.152703
     35          6           0       -6.755160    2.122496    3.031644
     36          6           0        3.991033    5.022809   -1.535346
     37          6           0        5.038633    3.105935   -2.561686
     38          6           0        5.111289    4.423752   -2.112069
     39          6           0        4.726967   -1.642185    1.175360
     40          6           0        4.918021   -1.973695   -0.180720
     41          6           0        5.670544   -2.001385    2.155052
     42          6           0        6.084643   -2.653541   -0.544024
     43          6           0        6.830466   -2.673273    1.752668
     44          6           0        3.910201   -1.623560   -1.207541
     45          6           0        5.452672   -1.697576    3.587974
     46          6           0        7.037502   -2.993140    0.413902
     47          1           0       -3.501385    2.416947   -0.692827
     48          1           0       -4.743527   -1.693654   -0.643904
     49          1           0       -1.466641    2.023979   -1.828661
     50          1           0       -1.114177    3.122644   -0.426603
     51          1           0       -0.474869    0.773699    0.798747
     52          1           0       -3.556995   -2.073594   -3.484611
     53          1           0        1.031848    2.788215    0.326975
     54          1           0       -3.569282   -0.042576    0.569456
     55          1           0       -2.113873    1.601242    1.975689
     56          1           0       -2.424274    3.286262    1.392302
     57          1           0       -2.024231   -3.949742   -2.166406
     58          1           0       -1.530034   -2.198026   -2.341928
     59          1           0        0.253403   -3.847273   -1.445907
     60          1           0        0.009913   -2.314088   -0.507123
     61          1           0        1.484885    1.298761   -2.373007
     62          1           0        0.604411    2.861269   -2.129738
     63          1           0       -6.340387   -1.200336   -2.433332
     64          1           0       -5.874705   -1.461280   -4.165219
     65          1           0       -5.096496   -0.129739   -3.215024
     66          1           0       -5.679178   -3.666485   -1.874042
     67          1           0       -4.132007   -4.297920   -2.573235
     68          1           0       -5.467833   -3.767453   -3.671495
     69          1           0        0.140950   -4.148893    1.107949
     70          1           0       -1.002534   -5.180767    0.135079
     71          1           0        2.302662    0.136108   -0.137641
     72          1           0       -1.794839   -3.542615    2.188650
     73          1           0       -0.691244    0.110778   -1.855259
     74          1           0       -4.678299    4.192158    1.286124
     75          1           0       -3.981433    0.158857    2.707174
     76          1           0        1.920851    4.781209   -0.951954
     77          1           0        3.799221    1.346908   -2.789160
     78          1           0        3.431800    0.108761    3.233810
     79          1           0        4.664447    0.675566    1.990994
     80          1           0       -6.967776    4.135995    2.263107
     81          1           0       -6.264116    0.114481    3.680153
     82          1           0       -7.765485    2.098968    3.465055
     83          1           0        4.046039    6.061044   -1.176510
     84          1           0        5.920087    2.630353   -3.015899
     85          1           0        6.049048    4.989255   -2.210643
     86          1           0        6.249160   -2.920663   -1.598902
     87          1           0        7.580223   -2.954992    2.507433
     88          1           0        4.054314   -2.232849   -2.133805
     89          1           0        4.002493   -0.541484   -1.482636
     90          1           0        2.875204   -1.806692   -0.822334
     91          1           0        6.102719   -2.335737    4.235761
     92          1           0        4.384508   -1.880589    3.866963
     93          1           0        5.693124   -0.624693    3.798683
     94          1           0        7.954019   -3.520546    0.110658
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0844332      0.0410243      0.0360336
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3241.2302567393 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247207441762     A.U. after   12 cycles
             Convg  =    0.8612D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000785179    0.001503580    0.001387611
      2        8          -0.000857371   -0.000040549    0.000316844
      3        8           0.000064754    0.000155676    0.000318184
      4        8          -0.000264254   -0.000578212   -0.000300344
      5        8           0.000812769    0.000079358    0.000240217
      6        7          -0.000258530    0.000621070    0.001678531
      7        7          -0.000622662   -0.000225524    0.000513492
      8        7          -0.000176425   -0.000854678   -0.000194586
      9        7          -0.002553026   -0.000512127   -0.000214163
     10        6           0.000615604   -0.000146513    0.000034020
     11        6           0.001385236   -0.000374432   -0.000490614
     12        6          -0.001514184    0.000277706   -0.001780474
     13        6          -0.000312025    0.000194303   -0.001339733
     14        6           0.000501505    0.000256821    0.000040274
     15        6          -0.000013566   -0.000145174   -0.000444553
     16        6           0.000159015    0.000027452   -0.000061555
     17        6           0.001312886    0.000845261   -0.000246485
     18        6          -0.000384570    0.000489074   -0.001098050
     19        6          -0.000959183    0.000326325    0.000184943
     20        6          -0.000106661   -0.000028788    0.000158504
     21        6           0.004734068   -0.001971056   -0.000535113
     22        6           0.000078248   -0.000070244   -0.000305366
     23        6           0.000094458   -0.000239252   -0.000291215
     24        6          -0.001611102    0.001376472   -0.001287431
     25        6           0.000146409    0.000168616   -0.000015260
     26        6          -0.000092465    0.000027577   -0.000102029
     27        6          -0.000110839    0.001275598    0.000285483
     28        6          -0.000133101    0.000097055    0.000114477
     29        6          -0.000005038   -0.000286711   -0.000112615
     30        6           0.000000735   -0.000065413    0.000076909
     31        6           0.000040408   -0.000113641   -0.000097728
     32        6           0.000346216   -0.000338312    0.000168650
     33        6           0.000016930   -0.000124582    0.000030093
     34        6           0.000011847    0.000036091   -0.000026033
     35        6           0.000007589    0.000087439   -0.000035446
     36        6           0.000020349    0.000011948    0.000041291
     37        6          -0.000041686    0.000059376    0.000005191
     38        6          -0.000010758    0.000001497   -0.000036430
     39        6          -0.000028654   -0.000365406    0.000273746
     40        6          -0.000418849    0.000290809   -0.000500506
     41        6          -0.000042312    0.000220176    0.000019184
     42        6           0.000321837    0.000042031   -0.000115304
     43        6          -0.000182499    0.000186680   -0.000277337
     44        6           0.000278437    0.000162397    0.000000018
     45        6          -0.000205995   -0.000105724    0.000085852
     46        6          -0.000185798   -0.000144924    0.000347967
     47        1          -0.000148195   -0.000016521   -0.000036966
     48        1           0.000245677    0.000067377    0.000111821
     49        1          -0.000792521   -0.000354198   -0.000220427
     50        1          -0.000294325    0.000161365    0.000002610
     51        1           0.000056029   -0.000274126   -0.000330885
     52        1           0.000196665   -0.000061076   -0.000309190
     53        1           0.000034793    0.000008438    0.000069825
     54        1           0.000155450   -0.000104307   -0.000044379
     55        1          -0.000086632   -0.000003188    0.000003215
     56        1           0.000021842   -0.000034881   -0.000084734
     57        1          -0.000215815    0.000258364   -0.000147810
     58        1          -0.000132850    0.000097219   -0.000241466
     59        1          -0.000129114    0.000134559   -0.000073888
     60        1          -0.000073698    0.000089401    0.000136646
     61        1           0.000028327    0.000271776    0.000006714
     62        1           0.000022721   -0.000126252   -0.000191046
     63        1          -0.000035972   -0.000051433    0.000008275
     64        1          -0.000027576    0.000038820   -0.000063105
     65        1           0.000129031   -0.000007360   -0.000053194
     66        1           0.000008979   -0.000048601   -0.000003807
     67        1          -0.000017077   -0.000068176   -0.000090215
     68        1           0.000009478   -0.000019796    0.000053583
     69        1          -0.000245280    0.000102273   -0.000070938
     70        1          -0.000049495   -0.000123634    0.000093353
     71        1           0.000046060   -0.000057984    0.000094901
     72        1          -0.001233841   -0.000950422    0.002058299
     73        1           0.001730319   -0.000923131    0.002983280
     74        1           0.000001899   -0.000007464   -0.000015288
     75        1          -0.000082583   -0.000030245    0.000126139
     76        1           0.000062710    0.000026529    0.000001575
     77        1          -0.000084918   -0.000067128    0.000025683
     78        1           0.000155679    0.000004341    0.000099826
     79        1           0.000135582   -0.000012642   -0.000112768
     80        1           0.000000941   -0.000019346   -0.000028897
     81        1          -0.000010314    0.000017529    0.000073717
     82        1           0.000005208   -0.000005508    0.000030578
     83        1          -0.000003757    0.000005194   -0.000000210
     84        1          -0.000002586   -0.000007438    0.000004189
     85        1          -0.000008467    0.000007885    0.000011089
     86        1          -0.000096795    0.000005980    0.000032498
     87        1           0.000075234   -0.000019444    0.000027166
     88        1          -0.000053742   -0.000020151   -0.000077928
     89        1          -0.000092769    0.000150232   -0.000135026
     90        1           0.000186239   -0.000080982   -0.000085676
     91        1          -0.000027880   -0.000010761   -0.000024580
     92        1          -0.000039528   -0.000064032   -0.000020321
     93        1          -0.000071879    0.000027273    0.000041065
     94        1           0.000105816    0.000006544   -0.000046410
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004734068 RMS     0.000573653

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005765953 RMS     0.000611175
 Search for a local minimum.
 Step number  30 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   27   28   29   30
 DE=  1.24D-04 DEPred=-1.19D-04 R=-1.04D+00
 Trust test=-1.04D+00 RLast= 1.00D-01 DXMaxT set to 7.40D-01
     Eigenvalues ---    0.00038   0.00187   0.00205   0.00234   0.00247
     Eigenvalues ---    0.00262   0.00284   0.00335   0.00374   0.00405
     Eigenvalues ---    0.00445   0.00485   0.00534   0.00546   0.00552
     Eigenvalues ---    0.00663   0.00675   0.00700   0.00934   0.01046
     Eigenvalues ---    0.01270   0.01352   0.01382   0.01401   0.01438
     Eigenvalues ---    0.01444   0.01492   0.01524   0.01588   0.01709
     Eigenvalues ---    0.02007   0.02017   0.02087   0.02117   0.02128
     Eigenvalues ---    0.02144   0.02150   0.02151   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02186   0.02187
     Eigenvalues ---    0.02188   0.02191   0.02290   0.02345   0.02375
     Eigenvalues ---    0.02585   0.02846   0.03064   0.03243   0.03544
     Eigenvalues ---    0.03772   0.03817   0.03975   0.04013   0.04195
     Eigenvalues ---    0.04355   0.04395   0.04519   0.04705   0.04763
     Eigenvalues ---    0.04796   0.04986   0.05001   0.05072   0.05215
     Eigenvalues ---    0.05375   0.05399   0.05435   0.05485   0.05573
     Eigenvalues ---    0.05596   0.05636   0.05639   0.05692   0.05922
     Eigenvalues ---    0.05958   0.06390   0.06793   0.07013   0.07122
     Eigenvalues ---    0.07136   0.07229   0.07359   0.07508   0.07528
     Eigenvalues ---    0.07816   0.08033   0.08320   0.08745   0.09229
     Eigenvalues ---    0.09360   0.09542   0.09693   0.10936   0.11571
     Eigenvalues ---    0.12155   0.12618   0.12871   0.12996   0.14052
     Eigenvalues ---    0.14365   0.15525   0.15875   0.15946   0.15972
     Eigenvalues ---    0.15996   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16003   0.16007   0.16013   0.16013   0.16021
     Eigenvalues ---    0.16056   0.16174   0.16211   0.16522   0.16599
     Eigenvalues ---    0.16920   0.17704   0.18804   0.19028   0.19486
     Eigenvalues ---    0.19953   0.20376   0.21090   0.21329   0.21956
     Eigenvalues ---    0.21986   0.22000   0.22000   0.22003   0.22057
     Eigenvalues ---    0.22308   0.22503   0.22947   0.23286   0.23368
     Eigenvalues ---    0.23443   0.23507   0.23781   0.23990   0.24605
     Eigenvalues ---    0.24725   0.24860   0.24924   0.25014   0.25090
     Eigenvalues ---    0.25186   0.25652   0.25858   0.26109   0.26908
     Eigenvalues ---    0.26989   0.27864   0.27959   0.28172   0.28356
     Eigenvalues ---    0.28759   0.28979   0.29218   0.29867   0.30011
     Eigenvalues ---    0.30270   0.30859   0.31678   0.32203   0.32569
     Eigenvalues ---    0.33123   0.33615   0.34199   0.34439   0.34480
     Eigenvalues ---    0.34528   0.34593   0.34646   0.34661   0.34685
     Eigenvalues ---    0.34705   0.34712   0.34734   0.34740   0.34744
     Eigenvalues ---    0.34750   0.34758   0.34763   0.34777   0.34781
     Eigenvalues ---    0.34790   0.34802   0.34806   0.34815   0.34830
     Eigenvalues ---    0.34831   0.34843   0.34871   0.34912   0.34953
     Eigenvalues ---    0.35072   0.35276   0.35647   0.35842   0.35890
     Eigenvalues ---    0.35919   0.35937   0.35946   0.35968   0.35985
     Eigenvalues ---    0.35992   0.36002   0.36009   0.36026   0.36034
     Eigenvalues ---    0.36063   0.37094   0.37222   0.39143   0.40746
     Eigenvalues ---    0.40795   0.40977   0.42229   0.42279   0.42352
     Eigenvalues ---    0.42864   0.43332   0.43637   0.44956   0.45330
     Eigenvalues ---    0.45821   0.46115   0.46135   0.46211   0.46300
     Eigenvalues ---    0.46463   0.46585   0.46731   0.46773   0.46818
     Eigenvalues ---    0.46964   0.46985   0.47495   0.47993   0.50228
     Eigenvalues ---    0.52755   0.54697   0.56318   0.58163   0.60192
     Eigenvalues ---    0.71149   0.80117   0.89995   0.91366   0.94079
     Eigenvalues ---    0.974931000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    30   29   28   27   26
 RFO step:  Lambda=-2.94925569D-04.
 DIIS coeffs:     -2.67197      3.23860      0.21041      1.21279     -0.98983
 Maximum step size (   0.740) exceeded in Quadratic search.
    -- Step size scaled by   0.592
 Iteration  1 RMS(Cart)=  0.15543936 RMS(Int)=  0.01153814
 Iteration  2 RMS(Cart)=  0.01425835 RMS(Int)=  0.00081761
 Iteration  3 RMS(Cart)=  0.00082463 RMS(Int)=  0.00016518
 Iteration  4 RMS(Cart)=  0.00000245 RMS(Int)=  0.00016517
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00016517
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.67976   0.00502   0.00163  -0.00420  -0.00257   2.67718
    R2        1.82791   0.00081  -0.00049   0.00057   0.00008   1.82800
    R3        2.36303   0.00036  -0.00019   0.00017  -0.00002   2.36300
    R4        2.38244  -0.00018  -0.00018  -0.00016  -0.00034   2.38210
    R5        2.36028   0.00037  -0.00010  -0.00027  -0.00038   2.35991
    R6        2.70550   0.00005   0.00039  -0.00018   0.00021   2.70571
    R7        2.63285  -0.00068  -0.00017   0.00014  -0.00003   2.63282
    R8        2.74173  -0.00306  -0.00256   0.00072  -0.00184   2.73989
    R9        2.73830  -0.00272  -0.00049  -0.00052  -0.00116   2.73714
   R10        2.66405  -0.00145  -0.00314  -0.00282  -0.00590   2.65815
   R11        2.73061  -0.00021  -0.00102  -0.00012  -0.00114   2.72948
   R12        2.58948  -0.00056   0.00051  -0.00045   0.00005   2.58953
   R13        1.89036  -0.00004  -0.00009  -0.00051  -0.00061   1.88976
   R14        2.72919   0.00047  -0.00030   0.00040   0.00010   2.72929
   R15        2.59528   0.00045  -0.00039   0.00030  -0.00009   2.59519
   R16        1.88181   0.00010   0.00013   0.00003   0.00016   1.88197
   R17        2.65204  -0.00533   0.00623   0.00545   0.01190   2.66393
   R18        2.72332  -0.00247   0.00189   0.00307   0.00512   2.72844
   R19        1.88470  -0.00255   0.00307   0.00150   0.00457   1.88927
   R20        2.90899  -0.00024   0.00056  -0.00050   0.00006   2.90905
   R21        2.91605  -0.00002  -0.00143   0.00097  -0.00045   2.91559
   R22        2.14594   0.00014   0.00017   0.00009   0.00026   2.14620
   R23        2.91726  -0.00127  -0.00176   0.00145  -0.00030   2.91695
   R24        2.94471  -0.00084  -0.00051   0.00111   0.00060   2.94531
   R25        2.14569  -0.00008   0.00003  -0.00012  -0.00008   2.14560
   R26        2.87342   0.00262   0.00059  -0.00243  -0.00184   2.87158
   R27        2.12600   0.00025   0.00030   0.00010   0.00040   2.12640
   R28        2.11921   0.00000   0.00035  -0.00012   0.00023   2.11944
   R29        2.94765   0.00063   0.00231  -0.00107   0.00123   2.94889
   R30        2.13305  -0.00001  -0.00006  -0.00005  -0.00011   2.13294
   R31        2.86696  -0.00012  -0.00030   0.00034   0.00004   2.86699
   R32        2.86318  -0.00044  -0.00043   0.00113   0.00070   2.86388
   R33        2.12773  -0.00002  -0.00026   0.00013  -0.00014   2.12759
   R34        2.91104  -0.00001   0.00104  -0.00057   0.00047   2.91151
   R35        2.13905  -0.00008  -0.00035   0.00000  -0.00035   2.13870
   R36        2.81133  -0.00006  -0.00129   0.00077  -0.00051   2.81082
   R37        2.12193  -0.00009  -0.00002   0.00019   0.00017   2.12209
   R38        2.12173   0.00007   0.00021   0.00015   0.00036   2.12208
   R39        2.88714  -0.00149   0.00069   0.00037   0.00089   2.88803
   R40        2.13295  -0.00008  -0.00004  -0.00024  -0.00028   2.13267
   R41        2.13616  -0.00003   0.00031   0.00027   0.00058   2.13675
   R42        2.88286  -0.00029  -0.00134   0.00005  -0.00137   2.88148
   R43        2.11515  -0.00019  -0.00018   0.00018   0.00000   2.11515
   R44        2.12348  -0.00015   0.00018   0.00002   0.00020   2.12369
   R45        2.80898   0.00009  -0.00029   0.00013  -0.00016   2.80882
   R46        2.12231   0.00006   0.00013  -0.00006   0.00007   2.12237
   R47        2.12311  -0.00004  -0.00013   0.00016   0.00004   2.12315
   R48        2.11016  -0.00004   0.00001   0.00011   0.00012   2.11028
   R49        2.11067  -0.00005   0.00009   0.00009   0.00017   2.11085
   R50        2.11109  -0.00001  -0.00008   0.00013   0.00005   2.11114
   R51        2.11047  -0.00004  -0.00005   0.00012   0.00007   2.11054
   R52        2.10895  -0.00003  -0.00004   0.00002  -0.00001   2.10894
   R53        2.11150   0.00004  -0.00008   0.00002  -0.00006   2.11144
   R54        2.12971  -0.00018  -0.00021   0.00008  -0.00013   2.12957
   R55        2.13407  -0.00001  -0.00039   0.00015  -0.00024   2.13383
   R56        2.64607   0.00004  -0.00021   0.00016  -0.00006   2.64601
   R57        2.64683  -0.00027  -0.00035   0.00027  -0.00008   2.64675
   R58        2.64681  -0.00007  -0.00016   0.00000  -0.00016   2.64664
   R59        2.64472   0.00001  -0.00013   0.00003  -0.00010   2.64462
   R60        2.88759   0.00097   0.00122  -0.00083   0.00040   2.88798
   R61        2.63355  -0.00008   0.00008   0.00009   0.00017   2.63371
   R62        2.07897   0.00001   0.00002   0.00006   0.00008   2.07905
   R63        2.63493   0.00004  -0.00013   0.00002  -0.00011   2.63482
   R64        2.08445  -0.00004  -0.00027   0.00034   0.00007   2.08452
   R65        2.63301  -0.00004  -0.00004   0.00009   0.00005   2.63305
   R66        2.07911  -0.00003  -0.00003   0.00007   0.00003   2.07915
   R67        2.63483  -0.00005   0.00002   0.00001   0.00003   2.63486
   R68        2.07943  -0.00004   0.00005   0.00002   0.00007   2.07950
   R69        2.12340  -0.00003   0.00024  -0.00002   0.00023   2.12363
   R70        2.11672   0.00009  -0.00019  -0.00004  -0.00024   2.11648
   R71        2.63561   0.00009   0.00001  -0.00013  -0.00012   2.63550
   R72        2.07826   0.00001  -0.00001   0.00004   0.00003   2.07829
   R73        2.63529   0.00002   0.00009   0.00002   0.00011   2.63540
   R74        2.07903   0.00002   0.00003   0.00007   0.00010   2.07913
   R75        2.07797  -0.00001   0.00001   0.00007   0.00007   2.07805
   R76        2.63646  -0.00007  -0.00001   0.00003   0.00002   2.63648
   R77        2.07846   0.00000  -0.00001   0.00007   0.00006   2.07851
   R78        2.63485  -0.00002  -0.00005   0.00005   0.00000   2.63485
   R79        2.07823   0.00000  -0.00002   0.00005   0.00003   2.07826
   R80        2.07776  -0.00001   0.00000   0.00009   0.00009   2.07784
   R81        2.66267  -0.00103  -0.00051   0.00032  -0.00020   2.66248
   R82        2.65851  -0.00055  -0.00019   0.00056   0.00037   2.65888
   R83        2.64237   0.00011   0.00014   0.00000   0.00015   2.64251
   R84        2.79823  -0.00043  -0.00074   0.00054  -0.00020   2.79803
   R85        2.64478  -0.00012   0.00027  -0.00031  -0.00004   2.64474
   R86        2.79848  -0.00017  -0.00013   0.00009  -0.00004   2.79844
   R87        2.63269  -0.00002   0.00030  -0.00029   0.00001   2.63270
   R88        2.07972   0.00003   0.00003  -0.00004  -0.00001   2.07971
   R89        2.63037   0.00033   0.00030  -0.00031  -0.00001   2.63036
   R90        2.07970   0.00005   0.00002   0.00002   0.00004   2.07975
   R91        2.11275  -0.00008   0.00017   0.00026   0.00044   2.11319
   R92        2.11707   0.00000  -0.00024   0.00009  -0.00015   2.11692
   R93        2.11543  -0.00015  -0.00018   0.00051   0.00034   2.11577
   R94        2.11230  -0.00002  -0.00001   0.00006   0.00005   2.11235
   R95        2.11472  -0.00004  -0.00004   0.00016   0.00012   2.11484
   R96        2.11556  -0.00002  -0.00007   0.00012   0.00005   2.11560
   R97        2.07880   0.00006  -0.00001   0.00003   0.00002   2.07882
    A1        1.87941   0.00577   0.00621  -0.00654  -0.00033   1.87908
    A2        1.99617  -0.00085  -0.00021   0.00115   0.00094   1.99711
    A3        2.06822  -0.00050   0.00103   0.00161   0.00190   2.07012
    A4        2.05730  -0.00011   0.00244   0.00403   0.00583   2.06313
    A5        2.09559   0.00049   0.00065   0.00104   0.00130   2.09690
    A6        2.17336   0.00060  -0.00216   0.00311   0.00090   2.17426
    A7        2.03882  -0.00029   0.00028   0.00006   0.00028   2.03910
    A8        2.06620  -0.00032   0.00162  -0.00087   0.00069   2.06688
    A9        2.14133  -0.00088  -0.00029   0.00192   0.00162   2.14295
   A10        2.02995   0.00034   0.00006  -0.00186  -0.00181   2.02814
   A11        2.06860   0.00050   0.00121  -0.00172  -0.00052   2.06809
   A12        2.10789   0.00014  -0.00362  -0.00823  -0.01288   2.09501
   A13        2.00784  -0.00039  -0.00497  -0.01507  -0.02234   1.98550
   A14        2.05800   0.00020  -0.00649  -0.01252  -0.02131   2.03669
   A15        2.00133   0.00054  -0.00039   0.00094   0.00055   2.00188
   A16        1.94577  -0.00022  -0.00185   0.00238   0.00053   1.94630
   A17        1.87651  -0.00016   0.00062  -0.00134  -0.00072   1.87579
   A18        1.91014  -0.00040   0.00143  -0.00014   0.00130   1.91144
   A19        1.84738   0.00016   0.00009  -0.00169  -0.00160   1.84578
   A20        1.87571   0.00009   0.00021  -0.00050  -0.00028   1.87543
   A21        1.99845  -0.00037  -0.00214   0.00154  -0.00060   1.99785
   A22        1.91576   0.00016  -0.00060  -0.00114  -0.00173   1.91403
   A23        1.87237   0.00002   0.00099   0.00003   0.00100   1.87337
   A24        1.91327  -0.00013  -0.00152   0.00244   0.00093   1.91420
   A25        1.86588   0.00029   0.00183  -0.00053   0.00130   1.86718
   A26        1.89466   0.00005   0.00180  -0.00265  -0.00085   1.89381
   A27        2.00404  -0.00102   0.00185   0.00135   0.00320   2.00724
   A28        1.88440   0.00020  -0.00094  -0.00210  -0.00304   1.88136
   A29        1.87658   0.00000  -0.00008   0.00257   0.00250   1.87907
   A30        1.90421   0.00104   0.00061  -0.00099  -0.00038   1.90383
   A31        1.90851   0.00015  -0.00175  -0.00271  -0.00447   1.90403
   A32        1.88245  -0.00037   0.00025   0.00203   0.00228   1.88473
   A33        1.96805   0.00343   0.00295  -0.00128   0.00162   1.96967
   A34        1.89693  -0.00125   0.00447   0.01228   0.01675   1.91369
   A35        1.83419  -0.00071  -0.00435  -0.01449  -0.01886   1.81533
   A36        1.93720  -0.00123  -0.00089  -0.00206  -0.00298   1.93422
   A37        1.92397  -0.00084  -0.00142   0.00278   0.00133   1.92530
   A38        1.89975   0.00058  -0.00095   0.00247   0.00156   1.90131
   A39        1.90789  -0.00043   0.00114   0.00088   0.00202   1.90992
   A40        1.94115   0.00001  -0.00158   0.00050  -0.00108   1.94008
   A41        1.89798  -0.00004  -0.00020   0.00033   0.00013   1.89811
   A42        1.91056   0.00046   0.00154  -0.00209  -0.00054   1.91002
   A43        1.89411   0.00007   0.00005   0.00009   0.00013   1.89425
   A44        1.91150  -0.00008  -0.00092   0.00029  -0.00063   1.91087
   A45        1.94340   0.00016  -0.00028  -0.00356  -0.00384   1.93957
   A46        1.95113   0.00043   0.00121  -0.00110   0.00011   1.95124
   A47        1.88221  -0.00026  -0.00251   0.00292   0.00041   1.88262
   A48        1.90705  -0.00041   0.00073   0.00038   0.00111   1.90815
   A49        1.88116   0.00010   0.00130   0.00309   0.00439   1.88555
   A50        1.89689  -0.00003  -0.00049  -0.00151  -0.00200   1.89488
   A51        1.96126  -0.00053  -0.00104   0.00189   0.00085   1.96211
   A52        1.91841   0.00009  -0.00036   0.00069   0.00034   1.91875
   A53        1.87632   0.00025   0.00104  -0.00138  -0.00035   1.87598
   A54        1.91851   0.00015  -0.00173  -0.00024  -0.00197   1.91654
   A55        1.91220   0.00015   0.00119  -0.00102   0.00016   1.91237
   A56        1.87469  -0.00009   0.00108  -0.00005   0.00103   1.87572
   A57        2.14562   0.00027   0.00007   0.00216   0.00222   2.14784
   A58        2.12456  -0.00003  -0.00072   0.00051  -0.00022   2.12434
   A59        2.01111  -0.00022   0.00078  -0.00239  -0.00162   2.00949
   A60        1.99479  -0.00086  -0.00112  -0.00273  -0.00387   1.99092
   A61        1.88110  -0.00013   0.00074   0.00298   0.00368   1.88478
   A62        1.90127   0.00027  -0.00048  -0.00159  -0.00201   1.89926
   A63        1.90400   0.00057  -0.00043   0.00117   0.00081   1.90482
   A64        1.89374   0.00018   0.00088  -0.00053   0.00028   1.89402
   A65        1.88627  -0.00001   0.00048   0.00089   0.00137   1.88764
   A66        1.93458  -0.00035  -0.00017  -0.00006  -0.00016   1.93442
   A67        1.89947   0.00003  -0.00026  -0.00010  -0.00043   1.89904
   A68        1.91261   0.00010  -0.00044  -0.00183  -0.00225   1.91035
   A69        1.90638   0.00024  -0.00006   0.00077   0.00073   1.90711
   A70        1.92561   0.00002   0.00052   0.00081   0.00126   1.92687
   A71        1.88429  -0.00002   0.00042   0.00043   0.00086   1.88515
   A72        1.96993   0.00019   0.00027  -0.00013   0.00013   1.97006
   A73        1.90672  -0.00019   0.00056   0.00067   0.00123   1.90795
   A74        1.87790  -0.00009   0.00048   0.00030   0.00079   1.87869
   A75        1.92616   0.00018  -0.00034  -0.00216  -0.00250   1.92366
   A76        1.90657  -0.00021  -0.00053   0.00024  -0.00029   1.90628
   A77        1.87350   0.00010  -0.00045   0.00121   0.00076   1.87426
   A78        2.11477  -0.00030  -0.00084   0.00081  -0.00031   2.11446
   A79        2.08258  -0.00020   0.00093  -0.00134  -0.00069   2.08189
   A80        2.08431   0.00048  -0.00042   0.00046   0.00053   2.08484
   A81        1.93303   0.00009   0.00003  -0.00024  -0.00021   1.93282
   A82        1.91314   0.00011   0.00013  -0.00032  -0.00019   1.91295
   A83        1.93124  -0.00023  -0.00049   0.00080   0.00031   1.93155
   A84        1.89304  -0.00006   0.00039  -0.00014   0.00025   1.89329
   A85        1.90127   0.00003  -0.00002  -0.00003  -0.00006   1.90122
   A86        1.89120   0.00007  -0.00001  -0.00008  -0.00010   1.89111
   A87        1.93038  -0.00001   0.00007  -0.00025  -0.00018   1.93020
   A88        1.94302  -0.00017  -0.00160   0.00141  -0.00020   1.94282
   A89        1.91561   0.00005   0.00037  -0.00045  -0.00008   1.91553
   A90        1.89267   0.00006   0.00018  -0.00004   0.00015   1.89282
   A91        1.89285   0.00002   0.00041  -0.00042  -0.00001   1.89284
   A92        1.88806   0.00005   0.00063  -0.00030   0.00034   1.88840
   A93        1.97810  -0.00012   0.00171   0.00482   0.00686   1.98496
   A94        1.91106  -0.00018   0.00099   0.00152   0.00236   1.91342
   A95        1.87958   0.00023  -0.00369  -0.00481  -0.00856   1.87102
   A96        1.90829   0.00014   0.00000  -0.00077  -0.00091   1.90739
   A97        1.90466  -0.00012   0.00070  -0.00055   0.00010   1.90476
   A98        1.87950   0.00005   0.00019  -0.00052  -0.00028   1.87922
   A99        2.09399   0.00013   0.00032  -0.00077  -0.00045   2.09354
   A100       2.10650  -0.00017  -0.00049   0.00109   0.00060   2.10710
   A101       2.08260   0.00004   0.00019  -0.00035  -0.00016   2.08245
   A102       2.09917  -0.00016  -0.00003  -0.00022  -0.00025   2.09892
   A103       2.10249   0.00025  -0.00005  -0.00003  -0.00008   2.10241
   A104       2.08144  -0.00009   0.00008   0.00026   0.00034   2.08178
   A105       2.14089  -0.00100  -0.00075   0.00149   0.00073   2.14162
   A106       2.06604  -0.00062  -0.00021   0.00133   0.00111   2.06715
   A107       2.07523   0.00160   0.00080  -0.00262  -0.00183   2.07341
   A108       2.10059  -0.00001  -0.00009   0.00027   0.00018   2.10077
   A109       2.09000   0.00000   0.00017   0.00010   0.00027   2.09026
   A110       2.09260   0.00000  -0.00008  -0.00037  -0.00045   2.09215
   A111       2.09721   0.00004   0.00001   0.00002   0.00003   2.09724
   A112       2.10048  -0.00005  -0.00020   0.00090   0.00070   2.10119
   A113       2.08549   0.00001   0.00019  -0.00092  -0.00073   2.08476
   A114       2.10008   0.00007  -0.00004  -0.00022  -0.00026   2.09983
   A115       2.08886  -0.00006   0.00007   0.00015   0.00022   2.08908
   A116       2.09423  -0.00001  -0.00003   0.00006   0.00004   2.09426
   A117       2.09999   0.00003  -0.00001  -0.00012  -0.00013   2.09986
   A118       2.09147   0.00000  -0.00001   0.00019   0.00018   2.09164
   A119       2.09173  -0.00002   0.00002  -0.00007  -0.00005   2.09167
   A120       1.93527   0.00165   0.00119  -0.00189  -0.00070   1.93458
   A121       1.87150  -0.00077  -0.00102   0.00004  -0.00098   1.87052
   A122       1.95662  -0.00032   0.00030   0.00048   0.00078   1.95740
   A123       1.88383  -0.00028  -0.00008   0.00032   0.00023   1.88407
   A124       1.89258  -0.00029  -0.00006   0.00052   0.00046   1.89304
   A125       1.92285   0.00001  -0.00035   0.00053   0.00018   1.92303
   A126       2.09594  -0.00001  -0.00005  -0.00003  -0.00007   2.09586
   A127       2.09229  -0.00001  -0.00003  -0.00001  -0.00004   2.09225
   A128       2.09495   0.00002   0.00008   0.00004   0.00012   2.09507
   A129       2.09862  -0.00003  -0.00004   0.00020   0.00016   2.09877
   A130       2.08849   0.00001   0.00010  -0.00018  -0.00008   2.08841
   A131       2.09608   0.00002  -0.00006  -0.00002  -0.00008   2.09600
   A132       2.09141  -0.00004  -0.00002  -0.00011  -0.00014   2.09127
   A133       2.09562   0.00003   0.00006   0.00007   0.00014   2.09575
   A134       2.09616   0.00001  -0.00004   0.00004   0.00000   2.09616
   A135       2.09674   0.00000   0.00002   0.00003   0.00004   2.09678
   A136       2.09202  -0.00001   0.00002  -0.00004  -0.00002   2.09199
   A137       2.09443   0.00001  -0.00003   0.00001  -0.00002   2.09441
   A138       2.09685   0.00002  -0.00004  -0.00005  -0.00009   2.09676
   A139       2.09178  -0.00001  -0.00001  -0.00002  -0.00002   2.09175
   A140       2.09456  -0.00001   0.00004   0.00007   0.00012   2.09467
   A141       2.09127  -0.00003  -0.00001   0.00010   0.00009   2.09135
   A142       2.09562   0.00002  -0.00002  -0.00006  -0.00008   2.09554
   A143       2.09630   0.00001   0.00003  -0.00004  -0.00001   2.09629
   A144       2.04895  -0.00005   0.00050  -0.00012   0.00038   2.04933
   A145       2.11349  -0.00039  -0.00047   0.00040  -0.00007   2.11341
   A146       2.11671   0.00045   0.00008  -0.00044  -0.00035   2.11636
   A147       2.06869  -0.00002   0.00016  -0.00001   0.00015   2.06885
   A148       2.11702  -0.00049   0.00040   0.00118   0.00157   2.11860
   A149       2.09745   0.00051  -0.00056  -0.00117  -0.00173   2.09572
   A150       2.06944  -0.00007   0.00008   0.00014   0.00022   2.06965
   A151       2.12089  -0.00046  -0.00031   0.00025  -0.00006   2.12083
   A152       2.09280   0.00053   0.00024  -0.00041  -0.00017   2.09263
   A153       2.10657  -0.00011  -0.00011   0.00018   0.00007   2.10664
   A154       2.08492  -0.00005   0.00026  -0.00006   0.00020   2.08512
   A155       2.09169   0.00016  -0.00015  -0.00012  -0.00027   2.09142
   A156       2.10612  -0.00014  -0.00015   0.00012  -0.00003   2.10609
   A157       2.08327   0.00014  -0.00016  -0.00002  -0.00019   2.08308
   A158       2.09378   0.00001   0.00032  -0.00010   0.00022   2.09399
   A159       1.93683   0.00014  -0.00041  -0.00069  -0.00110   1.93573
   A160       1.92047   0.00004  -0.00003  -0.00025  -0.00028   1.92019
   A161       1.93047  -0.00030   0.00013   0.00125   0.00138   1.93185
   A162       1.88843   0.00004   0.00024  -0.00085  -0.00061   1.88782
   A163       1.89137   0.00008  -0.00039  -0.00036  -0.00075   1.89062
   A164       1.89513  -0.00001   0.00048   0.00089   0.00137   1.89650
   A165       1.93700   0.00007   0.00011  -0.00042  -0.00032   1.93668
   A166       1.92635  -0.00002  -0.00025   0.00008  -0.00018   1.92617
   A167       1.92530  -0.00006  -0.00003   0.00037   0.00033   1.92564
   A168       1.89362   0.00002   0.00018  -0.00007   0.00011   1.89373
   A169       1.88931   0.00002   0.00013  -0.00012   0.00001   1.88933
   A170       1.89106  -0.00004  -0.00012   0.00017   0.00005   1.89111
   A171       2.09854  -0.00010  -0.00009  -0.00002  -0.00011   2.09842
   A172       2.09113   0.00015  -0.00034   0.00001  -0.00033   2.09079
   A173       2.09351  -0.00005   0.00043   0.00001   0.00044   2.09395
    D1        0.29542   0.00066   0.06011   0.28857   0.34867   0.64409
    D2       -1.86018   0.00080   0.05593   0.28316   0.33901  -1.52117
    D3        2.39169   0.00108   0.05717   0.28196   0.33921   2.73090
    D4        2.38272   0.00019  -0.00533  -0.00557  -0.01090   2.37182
    D5       -1.84784   0.00030  -0.00538  -0.00620  -0.01158  -1.85942
    D6        0.26470  -0.00040  -0.00631  -0.00523  -0.01154   0.25316
    D7       -2.11843  -0.00048  -0.00028  -0.00685  -0.00713  -2.12556
    D8        1.11835  -0.00053  -0.00164  -0.00490  -0.00654   1.11181
    D9        0.90313  -0.00029  -0.00295  -0.00114  -0.00416   0.89897
   D10       -1.25715   0.00003   0.00109  -0.00461  -0.00359  -1.26074
   D11        2.97058  -0.00013  -0.00129  -0.00085  -0.00221   2.96837
   D12       -2.60898  -0.00052   0.00480   0.01821   0.02308  -2.58591
   D13        1.51392  -0.00020   0.00885   0.01474   0.02365   1.53757
   D14       -0.54153  -0.00036   0.00646   0.01849   0.02503  -0.51650
   D15        2.58209  -0.00037   0.00789   0.02435   0.03214   2.61423
   D16       -1.58160  -0.00029   0.00715   0.02622   0.03331  -1.54828
   D17        0.46098  -0.00023   0.00788   0.02806   0.03588   0.49685
   D18       -0.18064   0.00000  -0.00045   0.00391   0.00337  -0.17727
   D19        1.93886   0.00008  -0.00119   0.00579   0.00455   1.94340
   D20       -2.30176   0.00014  -0.00046   0.00763   0.00711  -2.29465
   D21        0.05256   0.00040  -0.00733  -0.03530  -0.04269   0.00987
   D22        3.13452  -0.00011  -0.01440  -0.03678  -0.05136   3.08316
   D23        2.81762  -0.00006   0.00058  -0.01550  -0.01487   2.80275
   D24       -0.38361  -0.00056  -0.00648  -0.01697  -0.02353  -0.40715
   D25       -0.93845  -0.00075  -0.00370   0.03495   0.03125  -0.90720
   D26       -3.12113  -0.00045  -0.00380   0.03239   0.02860  -3.09254
   D27        1.11040  -0.00033  -0.00339   0.03248   0.02908   1.13948
   D28        2.31042  -0.00062  -0.00157   0.00946   0.00790   2.31832
   D29        0.12774  -0.00032  -0.00166   0.00691   0.00525   0.13299
   D30       -1.92391  -0.00021  -0.00126   0.00699   0.00573  -1.91818
   D31        0.14931  -0.00050  -0.00052  -0.01667  -0.01720   0.13211
   D32       -3.05738  -0.00005   0.00168  -0.01198  -0.01030  -3.06769
   D33       -3.10112  -0.00063  -0.00277   0.00924   0.00647  -3.09464
   D34       -0.02462  -0.00018  -0.00057   0.01393   0.01337  -0.01126
   D35       -1.76787  -0.00012  -0.01358  -0.01935  -0.03293  -1.80080
   D36        2.37671  -0.00001  -0.01520  -0.01647  -0.03167   2.34504
   D37        0.29254  -0.00006  -0.01371  -0.01583  -0.02954   0.26301
   D38        1.05674  -0.00018  -0.00996  -0.02562  -0.03558   1.02116
   D39       -1.08187  -0.00007  -0.01158  -0.02274  -0.03432  -1.11619
   D40        3.11714  -0.00012  -0.01009  -0.02210  -0.03218   3.08496
   D41       -0.11352  -0.00050   0.00036  -0.00077  -0.00042  -0.11394
   D42        3.07737  -0.00006   0.00471  -0.00549  -0.00078   3.07660
   D43       -2.93147  -0.00040  -0.00314   0.00563   0.00250  -2.92898
   D44        0.25942   0.00003   0.00122   0.00092   0.00214   0.26156
   D45       -2.88499  -0.00011   0.00416   0.02177   0.02567  -2.85932
   D46        0.31513   0.00039   0.01118   0.02314   0.03416   0.34929
   D47       -0.23917  -0.00017  -0.02844  -0.05715  -0.08533  -0.32450
   D48        2.96095   0.00033  -0.02143  -0.05578  -0.07684   2.88411
   D49        0.30943  -0.00013  -0.00813  -0.01598  -0.02382   0.28561
   D50        2.44510  -0.00016  -0.00621  -0.01251  -0.01845   2.42665
   D51       -1.79914  -0.00007  -0.00751  -0.01499  -0.02229  -1.82143
   D52       -2.32265   0.00009   0.02490   0.06578   0.09050  -2.23215
   D53       -0.18698   0.00006   0.02681   0.06925   0.09587  -0.09112
   D54        1.85196   0.00015   0.02551   0.06677   0.09202   1.94399
   D55       -0.89255  -0.00047  -0.00479  -0.00118  -0.00596  -0.89852
   D56        1.23576   0.00034  -0.00346  -0.00312  -0.00658   1.22918
   D57       -3.02057   0.00001  -0.00369  -0.00049  -0.00419  -3.02476
   D58        1.30871  -0.00068  -0.00639   0.00262  -0.00376   1.30495
   D59       -2.84616   0.00013  -0.00506   0.00068  -0.00437  -2.85054
   D60       -0.81931  -0.00020  -0.00529   0.00331  -0.00198  -0.82129
   D61       -2.95792  -0.00069  -0.00539   0.00109  -0.00430  -2.96222
   D62       -0.82961   0.00012  -0.00407  -0.00085  -0.00492  -0.83452
   D63        1.19725  -0.00020  -0.00429   0.00177  -0.00253   1.19472
   D64       -1.07552   0.00021   0.01186  -0.01117   0.00069  -1.07483
   D65        1.06697   0.00010   0.00865  -0.00966  -0.00101   1.06596
   D66        3.10231   0.00018   0.01033  -0.01013   0.00020   3.10251
   D67        2.97501  -0.00002   0.01265  -0.01408  -0.00143   2.97358
   D68       -1.16568  -0.00013   0.00944  -0.01258  -0.00314  -1.16882
   D69        0.86965  -0.00004   0.01112  -0.01305  -0.00192   0.86773
   D70        0.97661  -0.00006   0.01170  -0.01176  -0.00006   0.97656
   D71        3.11911  -0.00017   0.00850  -0.01026  -0.00176   3.11735
   D72       -1.12874  -0.00008   0.01017  -0.01072  -0.00055  -1.12929
   D73        3.05160   0.00022   0.00731   0.00001   0.00732   3.05891
   D74        0.93990  -0.00008   0.00564   0.00171   0.00735   0.94725
   D75       -1.16643   0.00004   0.00789   0.00082   0.00872  -1.15772
   D76       -1.06998   0.00005   0.00376   0.00156   0.00532  -1.06466
   D77        3.10152  -0.00024   0.00209   0.00326   0.00535   3.10686
   D78        0.99518  -0.00013   0.00435   0.00237   0.00672   1.00190
   D79        0.98048   0.00021   0.00611  -0.00058   0.00553   0.98601
   D80       -1.13121  -0.00009   0.00444   0.00112   0.00556  -1.12565
   D81        3.04564   0.00003   0.00670   0.00023   0.00693   3.05257
   D82        1.73009  -0.00003   0.00677   0.01047   0.01723   1.74732
   D83       -1.34727  -0.00048   0.00457   0.00577   0.01034  -1.33693
   D84       -0.47920   0.00043   0.01100   0.00757   0.01857  -0.46063
   D85        2.72663  -0.00003   0.00880   0.00287   0.01168   2.73831
   D86       -2.51156   0.00012   0.00863   0.00835   0.01698  -2.49458
   D87        0.69427  -0.00034   0.00643   0.00365   0.01009   0.70435
   D88        1.49356   0.00060  -0.04354  -0.08431  -0.12784   1.36573
   D89       -2.65651   0.00053  -0.03625  -0.07077  -0.10703  -2.76353
   D90       -0.55026  -0.00012  -0.03898  -0.06717  -0.10614  -0.65639
   D91       -0.62396   0.00025  -0.04405  -0.08176  -0.12581  -0.74977
   D92        1.50915   0.00018  -0.03676  -0.06823  -0.10499   1.40416
   D93       -2.66778  -0.00047  -0.03949  -0.06463  -0.10410  -2.77189
   D94       -2.67902   0.00000  -0.04368  -0.08208  -0.12576  -2.80479
   D95       -0.54591  -0.00007  -0.03640  -0.06854  -0.10495  -0.65086
   D96        1.56034  -0.00071  -0.03912  -0.06494  -0.10406   1.45628
   D97       -1.09433   0.00103  -0.00611   0.02988   0.02377  -1.07056
   D98        1.06945   0.00140  -0.00424   0.02631   0.02206   1.09152
   D99        3.12782   0.00119  -0.00369   0.02646   0.02277  -3.13260
   D100       3.01490  -0.00161  -0.01239   0.02430   0.01190   3.02680
   D101      -1.10450  -0.00124  -0.01052   0.02074   0.01020  -1.09430
   D102       0.95386  -0.00145  -0.00997   0.02089   0.01090   0.96477
   D103       0.89439  -0.00016  -0.00942   0.02052   0.01111   0.90550
   D104       3.05818   0.00021  -0.00756   0.01695   0.00941   3.06758
   D105      -1.16665   0.00001  -0.00700   0.01710   0.01011  -1.15653
   D106      -1.06754  -0.00006  -0.00062   0.00171   0.00109  -1.06645
   D107       3.12749  -0.00011  -0.00120   0.00223   0.00104   3.12853
   D108       1.04272  -0.00011  -0.00096   0.00204   0.00108   1.04381
   D109       1.06265  -0.00003  -0.00087   0.00157   0.00070   1.06335
   D110      -1.02551  -0.00007  -0.00145   0.00209   0.00065  -1.02486
   D111      -3.11028  -0.00008  -0.00120   0.00190   0.00070  -3.10958
   D112      -3.13511   0.00019  -0.00105   0.00075  -0.00030  -3.13541
   D113       1.05992   0.00014  -0.00163   0.00128  -0.00035   1.05957
   D114      -1.02485   0.00013  -0.00139   0.00109  -0.00030  -1.02515
   D115       0.90492  -0.00006   0.00369   0.00037   0.00405   0.90898
   D116      -1.20057  -0.00002   0.00448  -0.00036   0.00412  -1.19644
   D117       2.99275  -0.00001   0.00447  -0.00059   0.00388   2.99663
   D118      -1.20520   0.00016   0.00226   0.00032   0.00258  -1.20263
   D119       2.97249   0.00020   0.00305  -0.00040   0.00264   2.97514
   D120       0.88263   0.00021   0.00304  -0.00064   0.00240   0.88503
   D121       3.00329  -0.00015   0.00183   0.00129   0.00312   3.00640
   D122       0.89780  -0.00011   0.00262   0.00056   0.00319   0.90098
   D123      -1.19207  -0.00010   0.00261   0.00033   0.00294  -1.18913
   D124      -1.04064  -0.00004   0.01446   0.00142   0.01589  -1.02476
   D125       1.10921   0.00019   0.01461  -0.00095   0.01366   1.12287
   D126       3.13781   0.00016   0.01464   0.00100   0.01563  -3.12974
   D127       3.08331  -0.00025   0.01347   0.00645   0.01992   3.10323
   D128      -1.05002  -0.00002   0.01362   0.00408   0.01769  -1.03233
   D129       0.97858  -0.00005   0.01364   0.00602   0.01967   0.99825
   D130       1.03484  -0.00012   0.01178   0.00339   0.01518   1.05002
   D131      -3.09849   0.00011   0.01193   0.00102   0.01295  -3.08554
   D132      -1.06989   0.00008   0.01196   0.00296   0.01492  -1.05496
   D133      -1.54772  -0.00009  -0.01222   0.00252  -0.00970  -1.55743
   D134       1.60853  -0.00017  -0.01401   0.00471  -0.00929   1.59924
   D135       2.59303   0.00005  -0.00979   0.00049  -0.00930   2.58373
   D136      -0.53390  -0.00003  -0.01158   0.00268  -0.00889  -0.54279
   D137       0.53683  -0.00002  -0.01078   0.00130  -0.00948   0.52734
   D138      -2.59010  -0.00010  -0.01257   0.00350  -0.00908  -2.59918
   D139       0.76707  -0.00027   0.00321   0.00128   0.00441   0.77148
   D140       2.86395  -0.00018   0.00286   0.00212   0.00495   2.86890
   D141      -1.36235  -0.00013   0.00297   0.00153   0.00445  -1.35790
   D142      -1.33976   0.00004   0.00332  -0.00158   0.00169  -1.33807
   D143       0.75712   0.00014   0.00297  -0.00073   0.00222   0.75935
   D144       2.81400   0.00019   0.00308  -0.00133   0.00172   2.81573
   D145       2.89232  -0.00036   0.00249  -0.00299  -0.00056   2.89176
   D146      -1.29398  -0.00027   0.00214  -0.00215  -0.00002  -1.29401
   D147       0.76290  -0.00022   0.00225  -0.00274  -0.00053   0.76237
   D148      -0.82865  -0.00013   0.00089   0.00275   0.00355  -0.82511
   D149      -2.96585   0.00008  -0.00157  -0.00198  -0.00360  -2.96945
   D150       1.26570   0.00000  -0.00220  -0.00061  -0.00280   1.26290
   D151      -2.92141  -0.00010   0.00135   0.00243   0.00370  -2.91771
   D152       1.22458   0.00011  -0.00111  -0.00231  -0.00345   1.22113
   D153      -0.82706   0.00003  -0.00174  -0.00093  -0.00265  -0.82971
   D154       1.29315  -0.00023   0.00057   0.00095   0.00145   1.29460
   D155      -0.84405  -0.00002  -0.00189  -0.00379  -0.00570  -0.84975
   D156      -2.89568  -0.00010  -0.00252  -0.00241  -0.00490  -2.90059
   D157      -1.25105   0.00011  -0.00579  -0.01449  -0.02028  -1.27133
   D158       1.90466   0.00014  -0.00567  -0.01563  -0.02130   1.88336
   D159       2.89312   0.00008  -0.00645  -0.01368  -0.02013   2.87299
   D160      -0.23436   0.00012  -0.00633  -0.01482  -0.02115  -0.25551
   D161       0.83723  -0.00002  -0.00538  -0.01402  -0.01941   0.81782
   D162      -2.29025   0.00001  -0.00526  -0.01517  -0.02042  -2.31068
   D163      -3.12804  -0.00004  -0.00051   0.00093   0.00042  -3.12762
   D164       0.01244  -0.00006  -0.00083   0.00172   0.00089   0.01333
   D165      -0.00091   0.00004   0.00125  -0.00123   0.00002  -0.00089
   D166       3.13957   0.00002   0.00093  -0.00043   0.00049   3.14007
   D167       3.12762   0.00008   0.00020  -0.00102  -0.00082   3.12680
   D168      -0.01663  -0.00003   0.00024  -0.00010   0.00014  -0.01650
   D169       0.00059  -0.00001  -0.00158   0.00117  -0.00041   0.00018
   D170       3.13953  -0.00011  -0.00154   0.00209   0.00054   3.14007
   D171      -3.12748   0.00002  -0.00046  -0.00078  -0.00124  -3.12872
   D172       0.01944   0.00005  -0.00048  -0.00080  -0.00128   0.01816
   D173       0.00017  -0.00002  -0.00058   0.00034  -0.00024  -0.00007
   D174      -3.13609   0.00001  -0.00060   0.00032  -0.00028  -3.13637
   D175       3.12602  -0.00003   0.00019   0.00088   0.00108   3.12710
   D176      -0.01820   0.00003   0.00077  -0.00036   0.00041  -0.01779
   D177      -0.00160   0.00001   0.00032  -0.00024   0.00008  -0.00152
   D178       3.13736   0.00007   0.00090  -0.00149  -0.00059   3.13678
   D179       2.71905  -0.00014  -0.00592  -0.00832  -0.01425   2.70480
   D180       0.67396   0.00003  -0.00531  -0.00750  -0.01281   0.66115
   D181      -1.40887   0.00034  -0.00481  -0.00861  -0.01341  -1.42228
   D182      -0.46972  -0.00057  -0.01011  -0.00380  -0.01391  -0.48363
   D183      -2.51480  -0.00040  -0.00949  -0.00298  -0.01248  -2.52728
   D184       1.68555  -0.00009  -0.00899  -0.00408  -0.01308   1.67248
   D185       0.00104  -0.00004  -0.00023   0.00054   0.00032   0.00135
   D186      -3.14144  -0.00003  -0.00021   0.00095   0.00074  -3.14070
   D187      -3.13945  -0.00002   0.00010  -0.00026  -0.00016  -3.13961
   D188       0.00126   0.00000   0.00011   0.00015   0.00026   0.00153
   D189      -0.00039  -0.00003   0.00088  -0.00043   0.00045   0.00006
   D190       3.14042  -0.00007   0.00087   0.00002   0.00088   3.14131
   D191      -3.13935   0.00008   0.00085  -0.00134  -0.00049  -3.13984
   D192       0.00147   0.00004   0.00083  -0.00090  -0.00006   0.00141
   D193       0.00149   0.00001   0.00043  -0.00019   0.00023   0.00173
   D194      -3.13815   0.00001   0.00033   0.00009   0.00042  -3.13773
   D195       3.13774  -0.00002   0.00045  -0.00017   0.00028   3.13802
   D196      -0.00191  -0.00002   0.00035   0.00011   0.00046  -0.00144
   D197       0.00137   0.00001   0.00010   0.00000   0.00009   0.00147
   D198      -3.14095   0.00002   0.00030  -0.00024   0.00006  -3.14089
   D199      -3.13759  -0.00005  -0.00048   0.00124   0.00076  -3.13683
   D200       0.00327  -0.00004  -0.00028   0.00100   0.00072   0.00399
   D201      -0.00083   0.00000  -0.00048   0.00021  -0.00027  -0.00110
   D202       3.13961   0.00004  -0.00031  -0.00001  -0.00032   3.13929
   D203      -3.14154  -0.00001  -0.00050  -0.00019  -0.00069   3.14096
   D204      -0.00110   0.00003  -0.00033  -0.00042  -0.00074  -0.00184
   D205       0.00051   0.00003   0.00015  -0.00027  -0.00011   0.00039
   D206      -3.13993  -0.00001  -0.00002  -0.00005  -0.00006  -3.13999
   D207      -3.14031   0.00007   0.00017  -0.00071  -0.00055  -3.14085
   D208       0.00244   0.00003   0.00000  -0.00049  -0.00049   0.00195
   D209      -0.00173   0.00000  -0.00001  -0.00006  -0.00006  -0.00179
   D210       3.14097  -0.00001  -0.00010   0.00023   0.00013   3.14110
   D211       3.13792   0.00000   0.00009  -0.00034  -0.00025   3.13767
   D212      -0.00257  -0.00001   0.00000  -0.00005  -0.00006  -0.00262
   D213       0.00030  -0.00001  -0.00025   0.00016  -0.00010   0.00020
   D214       3.14078   0.00000  -0.00016  -0.00013  -0.00029   3.14049
   D215      -3.14057  -0.00002  -0.00046   0.00039  -0.00006  -3.14063
   D216      -0.00008  -0.00001  -0.00036   0.00011  -0.00026  -0.00034
   D217      -3.06482  -0.00003  -0.00242   0.00056  -0.00186  -3.06668
   D218       0.07021  -0.00010  -0.00304   0.00110  -0.00194   0.06827
   D219      -0.01860  -0.00003  -0.00109  -0.00135  -0.00244  -0.02104
   D220       3.11642  -0.00010  -0.00171  -0.00081  -0.00252   3.11391
   D221       3.06887   0.00002   0.00257  -0.00068   0.00189   3.07075
   D222      -0.06093  -0.00007   0.00170   0.00146   0.00316  -0.05777
   D223       0.02617   0.00000   0.00113   0.00133   0.00246   0.02863
   D224      -3.10363  -0.00010   0.00027   0.00347   0.00374  -3.09989
   D225      -0.00191   0.00003   0.00040   0.00039   0.00079  -0.00113
   D226       3.14084  -0.00001  -0.00009   0.00077   0.00068   3.14152
   D227      -3.13701   0.00011   0.00101  -0.00016   0.00085  -3.13616
   D228       0.00574   0.00007   0.00052   0.00022   0.00074   0.00648
   D229      -2.82059   0.00001   0.01027   0.01795   0.02822  -2.79237
   D230       1.37305  -0.00016   0.01026   0.01961   0.02987   1.40291
   D231      -0.72079   0.00001   0.00959   0.01787   0.02746  -0.69332
   D232       0.31433  -0.00007   0.00965   0.01850   0.02815   0.34248
   D233      -1.77522  -0.00024   0.00963   0.02017   0.02980  -1.74542
   D234       2.41413  -0.00007   0.00896   0.01843   0.02739   2.44152
   D235      -0.01341   0.00002  -0.00048  -0.00035  -0.00083  -0.01425
   D236       3.13511  -0.00001  -0.00116   0.00056  -0.00061   3.13450
   D237       3.11658   0.00011   0.00036  -0.00245  -0.00209   3.11450
   D238      -0.01808   0.00008  -0.00032  -0.00154  -0.00186  -0.01994
   D239       2.80853   0.00007  -0.00209  -0.00326  -0.00535   2.80318
   D240       0.70852   0.00000  -0.00222  -0.00295  -0.00517   0.70335
   D241      -1.38074   0.00010  -0.00188  -0.00345  -0.00533  -1.38606
   D242      -0.32111  -0.00003  -0.00297  -0.00110  -0.00407  -0.32518
   D243      -2.42113  -0.00009  -0.00309  -0.00079  -0.00388  -2.42501
   D244       1.77280   0.00001  -0.00275  -0.00128  -0.00404   1.76877
   D245       0.01441  -0.00002   0.00022   0.00058   0.00080   0.01522
   D246      -3.13266  -0.00002   0.00045   0.00006   0.00051  -3.13215
   D247      -3.12835   0.00003   0.00072   0.00020   0.00092  -3.12743
   D248       0.00776   0.00002   0.00095  -0.00032   0.00063   0.00839
   D249      -0.00657  -0.00001  -0.00018  -0.00060  -0.00078  -0.00735
   D250       3.14052  -0.00001  -0.00041  -0.00008  -0.00049   3.14003
   D251       3.12806   0.00002   0.00050  -0.00151  -0.00101   3.12705
   D252      -0.00805   0.00003   0.00027  -0.00099  -0.00072  -0.00876
         Item               Value     Threshold  Converged?
 Maximum Force            0.005766     0.000450     NO 
 RMS     Force            0.000611     0.000300     NO 
 Maximum Displacement     0.825407     0.001800     NO 
 RMS     Displacement     0.158676     0.001200     NO 
 Predicted change in Energy=-5.283996D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.260905   -0.021903   -0.820362
      2          8           0       -2.635827    0.257439   -2.472859
      3          8           0       -3.680540   -2.166184    1.262916
      4          8           0        2.413355    2.354451    2.263572
      5          8           0        3.522657   -0.956654    1.635201
      6          7           0       -2.779668   -2.592030   -0.836866
      7          7           0       -3.198208    0.407912   -0.243036
      8          7           0        2.145139    1.082732    0.363667
      9          7           0       -1.957928   -3.695361    1.168944
     10          6           0       -2.799484    1.780436   -0.034661
     11          6           0       -3.734577   -1.686679   -1.445680
     12          6           0       -1.396990    2.130315   -0.564152
     13          6           0       -0.286471    1.200434   -0.104617
     14          6           0       -4.165396   -2.078496   -2.875200
     15          6           0        1.103789    1.900868   -0.212683
     16          6           0       -2.903902    2.180556    1.451756
     17          6           0       -3.156044   -0.239446   -1.450069
     18          6           0       -1.579492   -2.931934   -1.573073
     19          6           0       -0.370646   -3.235442   -0.688647
     20          6           0        1.391728    2.237835   -1.688254
     21          6           0       -2.826493   -2.768298    0.557891
     22          6           0       -5.245812   -1.127668   -3.355165
     23          6           0       -4.689061   -3.499993   -2.918424
     24          6           0       -0.765475   -4.130534    0.480962
     25          6           0       -4.295304    2.084618    1.968686
     26          6           0        2.678925    2.956924   -1.876176
     27          6           0        2.690735    1.334482    1.598553
     28          6           0       -5.154135    3.186360    1.872968
     29          6           0       -4.755824    0.906313    2.569688
     30          6           0        2.801523    4.297374   -1.489285
     31          6           0        3.775806    2.308588   -2.455001
     32          6           0        3.727131    0.360543    2.157915
     33          6           0       -6.454237    3.111438    2.369482
     34          6           0       -6.056821    0.835220    3.066068
     35          6           0       -6.907540    1.935876    2.967482
     36          6           0        4.003001    4.976994   -1.679021
     37          6           0        4.976553    2.991192   -2.645652
     38          6           0        5.092268    4.325640   -2.258437
     39          6           0        4.688772   -1.604269    1.232885
     40          6           0        4.766008   -2.027464   -0.108756
     41          6           0        5.697381   -1.926763    2.159387
     42          6           0        5.886018   -2.759636   -0.514843
     43          6           0        6.807809   -2.653224    1.714517
     44          6           0        3.689664   -1.719353   -1.077720
     45          6           0        5.596910   -1.529730    3.582497
     46          6           0        6.903342   -3.062422    0.387531
     47          1           0       -3.521192    2.437206   -0.615738
     48          1           0       -4.670045   -1.698909   -0.802336
     49          1           0       -1.441974    2.122112   -1.688466
     50          1           0       -1.159891    3.175832   -0.234640
     51          1           0       -0.456258    0.886584    0.966199
     52          1           0       -3.276388   -1.984811   -3.559654
     53          1           0        1.056006    2.866943    0.374917
     54          1           0       -3.595079   -0.070716    0.540188
     55          1           0       -2.222857    1.536692    2.070355
     56          1           0       -2.541109    3.239421    1.542434
     57          1           0       -1.806295   -3.834129   -2.212020
     58          1           0       -1.316184   -2.072034   -2.258465
     59          1           0        0.406249   -3.754354   -1.305066
     60          1           0        0.069907   -2.272089   -0.313409
     61          1           0        1.383540    1.291977   -2.293780
     62          1           0        0.550191    2.882285   -2.060813
     63          1           0       -6.145449   -1.186198   -2.696168
     64          1           0       -5.550162   -1.400276   -4.394767
     65          1           0       -4.870141   -0.075589   -3.363078
     66          1           0       -5.480252   -3.650842   -2.144724
     67          1           0       -3.872488   -4.238815   -2.737287
     68          1           0       -5.132105   -3.708809   -3.922677
     69          1           0        0.091803   -4.190102    1.209989
     70          1           0       -0.962968   -5.174286    0.098064
     71          1           0        2.260715    0.175633   -0.030816
     72          1           0       -1.891465   -3.591672    2.161088
     73          1           0       -0.492136    0.171318   -1.739564
     74          1           0       -4.799573    4.116076    1.403580
     75          1           0       -4.094736    0.027232    2.653173
     76          1           0        1.945081    4.812349   -1.029039
     77          1           0        3.691181    1.254169   -2.758266
     78          1           0        3.582234    0.302083    3.270776
     79          1           0        4.748380    0.754887    1.921422
     80          1           0       -7.122280    3.981390    2.289302
     81          1           0       -6.410026   -0.094615    3.536342
     82          1           0       -7.932658    1.877594    3.361154
     83          1           0        4.092251    6.028550   -1.369104
     84          1           0        5.833483    2.474436   -3.101853
     85          1           0        6.039707    4.863207   -2.408041
     86          1           0        5.962102   -3.097965   -1.559315
     87          1           0        7.607445   -2.906533    2.427004
     88          1           0        3.732628   -2.411139   -1.955256
     89          1           0        3.801429   -0.670247   -1.454277
     90          1           0        2.683618   -1.822262   -0.597282
     91          1           0        6.277362   -2.147280    4.218984
     92          1           0        4.548482   -1.662555    3.950734
     93          1           0        5.880677   -0.453960    3.707160
     94          1           0        7.782008   -3.631668    0.049817
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0846366      0.0411590      0.0364252
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3247.4139287717 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247416009628     A.U. after   15 cycles
             Convg  =    0.4156D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000787673   -0.000255489    0.001228678
      2        8          -0.000122378    0.000119853    0.000059866
      3        8           0.000423141   -0.000074801    0.000469343
      4        8          -0.000239835   -0.000626375   -0.000091380
      5        8           0.000798340    0.000016478    0.000281782
      6        7           0.000123514    0.000459687    0.002727221
      7        7          -0.001390396    0.000112395    0.000770976
      8        7          -0.000434808   -0.000895794    0.000264480
      9        7          -0.002930463   -0.002173468   -0.001667078
     10        6           0.000978005   -0.000557438    0.000046303
     11        6           0.000703390   -0.000834936   -0.000799893
     12        6          -0.001628703    0.000006935   -0.000550687
     13        6           0.000462789    0.000742648   -0.001487569
     14        6           0.000443604    0.000530631    0.000338426
     15        6           0.000139444    0.000261455    0.000024720
     16        6           0.000421048   -0.000158406   -0.000232168
     17        6           0.001382085    0.000006350   -0.000381359
     18        6          -0.000234944    0.000502900   -0.001256862
     19        6          -0.001330459    0.000114999    0.000348761
     20        6          -0.000126456   -0.000037892    0.000155432
     21        6           0.005560325   -0.000467171   -0.001034914
     22        6           0.000136432    0.000020971   -0.000345166
     23        6           0.000026128   -0.000340477   -0.000397257
     24        6          -0.001747470    0.002035852   -0.001015880
     25        6          -0.000109342    0.000242054   -0.000080137
     26        6          -0.000036431   -0.000009620   -0.000102358
     27        6           0.000164194    0.001344285   -0.000272654
     28        6          -0.000303399    0.000146921    0.000104817
     29        6           0.000056629   -0.000180913   -0.000303001
     30        6          -0.000036603   -0.000079412    0.000048485
     31        6           0.000104626   -0.000177545   -0.000065238
     32        6           0.000361406   -0.000155755    0.000222796
     33        6           0.000031094   -0.000195860    0.000052778
     34        6          -0.000056494    0.000135785   -0.000076063
     35        6           0.000045679    0.000124515   -0.000021062
     36        6           0.000030421   -0.000007679    0.000040312
     37        6          -0.000037471    0.000089065    0.000037850
     38        6          -0.000012832   -0.000009269   -0.000063553
     39        6           0.000043164   -0.000299787    0.000171107
     40        6          -0.000314387    0.000203897   -0.000537281
     41        6          -0.000110462    0.000225544    0.000070986
     42        6           0.000443531    0.000026642   -0.000195304
     43        6          -0.000214078    0.000171653   -0.000324586
     44        6           0.000245813    0.000147712    0.000144845
     45        6          -0.000246691   -0.000111416    0.000047209
     46        6          -0.000254169   -0.000130042    0.000429974
     47        1          -0.000177791    0.000057451   -0.000098385
     48        1           0.000187021    0.000057319    0.000188781
     49        1          -0.000283534    0.000108277   -0.000099396
     50        1          -0.000235176    0.000214244    0.000140981
     51        1          -0.000241218   -0.000083053   -0.000570791
     52        1           0.000158728   -0.000093008   -0.000382061
     53        1          -0.000146056    0.000179676    0.000143797
     54        1           0.000237036   -0.000142498    0.000013063
     55        1          -0.000119302   -0.000152851    0.000066067
     56        1           0.000122093    0.000052106   -0.000022318
     57        1          -0.000256662    0.000267466   -0.000122446
     58        1          -0.000086867    0.000289413   -0.000150606
     59        1          -0.000083614    0.000086147   -0.000164543
     60        1           0.000198571    0.000171652    0.000223526
     61        1           0.000115637   -0.000217167   -0.000028939
     62        1           0.000061209   -0.000239296   -0.000224945
     63        1          -0.000013386   -0.000093838    0.000032863
     64        1          -0.000010821    0.000079730   -0.000113629
     65        1           0.000128727    0.000018294   -0.000035675
     66        1           0.000023257   -0.000069251    0.000015971
     67        1          -0.000048153   -0.000010807   -0.000034036
     68        1           0.000031067   -0.000008642    0.000059541
     69        1          -0.000302790    0.000150206   -0.000059033
     70        1           0.000022090   -0.000267109    0.000170089
     71        1           0.000097385   -0.000058948   -0.000061423
     72        1          -0.001242260   -0.000605083    0.002623749
     73        1          -0.000259985    0.000432678    0.001623149
     74        1           0.000038372    0.000005677   -0.000007459
     75        1          -0.000077935   -0.000038227    0.000169611
     76        1           0.000077061    0.000040557   -0.000004755
     77        1          -0.000090759   -0.000089459   -0.000007485
     78        1           0.000124750   -0.000022610    0.000148546
     79        1           0.000158163   -0.000061050   -0.000079837
     80        1           0.000029516   -0.000014022   -0.000040063
     81        1          -0.000033381   -0.000018328    0.000111292
     82        1           0.000019728   -0.000040729    0.000044676
     83        1          -0.000009664    0.000011633    0.000012088
     84        1          -0.000010002   -0.000003820   -0.000003043
     85        1          -0.000016852    0.000020859    0.000024152
     86        1          -0.000125333    0.000023118    0.000033257
     87        1           0.000083212   -0.000022558    0.000050120
     88        1          -0.000084791   -0.000048215   -0.000139673
     89        1          -0.000145186    0.000119480   -0.000175557
     90        1           0.000167305    0.000022971    0.000042145
     91        1          -0.000043331   -0.000007188   -0.000038043
     92        1          -0.000005361   -0.000082006   -0.000029370
     93        1          -0.000054713    0.000054656    0.000048466
     94        1           0.000129789    0.000016468   -0.000078115
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005560325 RMS     0.000613179

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.005913440 RMS     0.000479429
 Search for a local minimum.
 Step number  31 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   30   31
 DE= -2.09D-04 DEPred=-5.28D-04 R= 3.95D-01
 Trust test= 3.95D-01 RLast= 7.40D-01 DXMaxT set to 7.40D-01
     Eigenvalues ---    0.00162   0.00193   0.00212   0.00235   0.00245
     Eigenvalues ---    0.00269   0.00287   0.00350   0.00371   0.00408
     Eigenvalues ---    0.00445   0.00485   0.00526   0.00546   0.00558
     Eigenvalues ---    0.00661   0.00678   0.00707   0.00910   0.01061
     Eigenvalues ---    0.01274   0.01346   0.01381   0.01404   0.01442
     Eigenvalues ---    0.01447   0.01490   0.01533   0.01592   0.01715
     Eigenvalues ---    0.02011   0.02017   0.02087   0.02117   0.02128
     Eigenvalues ---    0.02143   0.02149   0.02151   0.02154   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02186   0.02187
     Eigenvalues ---    0.02188   0.02191   0.02290   0.02338   0.02351
     Eigenvalues ---    0.02593   0.02839   0.03061   0.03240   0.03534
     Eigenvalues ---    0.03768   0.03810   0.03984   0.04009   0.04178
     Eigenvalues ---    0.04348   0.04389   0.04494   0.04701   0.04733
     Eigenvalues ---    0.04798   0.04981   0.04992   0.05072   0.05184
     Eigenvalues ---    0.05365   0.05388   0.05432   0.05484   0.05562
     Eigenvalues ---    0.05596   0.05636   0.05648   0.05686   0.05919
     Eigenvalues ---    0.05952   0.06403   0.06791   0.07016   0.07124
     Eigenvalues ---    0.07143   0.07226   0.07356   0.07517   0.07527
     Eigenvalues ---    0.07808   0.08024   0.08315   0.08744   0.09237
     Eigenvalues ---    0.09369   0.09603   0.09657   0.10876   0.11566
     Eigenvalues ---    0.12128   0.12629   0.12871   0.13008   0.13805
     Eigenvalues ---    0.14051   0.15519   0.15874   0.15943   0.15970
     Eigenvalues ---    0.15998   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16003
     Eigenvalues ---    0.16003   0.16007   0.16012   0.16016   0.16024
     Eigenvalues ---    0.16053   0.16179   0.16218   0.16479   0.16602
     Eigenvalues ---    0.16936   0.17698   0.18808   0.18988   0.19383
     Eigenvalues ---    0.19992   0.20338   0.21180   0.21479   0.21931
     Eigenvalues ---    0.21988   0.22000   0.22000   0.22002   0.22063
     Eigenvalues ---    0.22300   0.22492   0.22964   0.23277   0.23373
     Eigenvalues ---    0.23432   0.23511   0.23817   0.23998   0.24552
     Eigenvalues ---    0.24733   0.24901   0.24926   0.25016   0.25090
     Eigenvalues ---    0.25183   0.25596   0.25863   0.26107   0.26915
     Eigenvalues ---    0.27024   0.27793   0.27968   0.28029   0.28362
     Eigenvalues ---    0.28613   0.29009   0.29233   0.29825   0.30016
     Eigenvalues ---    0.30353   0.30912   0.31657   0.32173   0.32537
     Eigenvalues ---    0.33067   0.33643   0.34283   0.34439   0.34484
     Eigenvalues ---    0.34534   0.34590   0.34647   0.34662   0.34686
     Eigenvalues ---    0.34706   0.34712   0.34731   0.34740   0.34744
     Eigenvalues ---    0.34750   0.34759   0.34763   0.34777   0.34782
     Eigenvalues ---    0.34790   0.34802   0.34807   0.34816   0.34829
     Eigenvalues ---    0.34831   0.34843   0.34871   0.34904   0.34953
     Eigenvalues ---    0.35070   0.35317   0.35680   0.35865   0.35891
     Eigenvalues ---    0.35920   0.35943   0.35946   0.35968   0.35986
     Eigenvalues ---    0.35992   0.36003   0.36013   0.36027   0.36034
     Eigenvalues ---    0.36063   0.37198   0.37252   0.39145   0.40471
     Eigenvalues ---    0.40790   0.41009   0.42228   0.42279   0.42352
     Eigenvalues ---    0.42740   0.43226   0.43455   0.44926   0.45088
     Eigenvalues ---    0.45812   0.46114   0.46135   0.46195   0.46277
     Eigenvalues ---    0.46396   0.46493   0.46716   0.46760   0.46804
     Eigenvalues ---    0.46834   0.46965   0.47495   0.47909   0.49819
     Eigenvalues ---    0.50455   0.54688   0.56404   0.58201   0.60164
     Eigenvalues ---    0.70813   0.76553   0.89871   0.91215   0.94033
     Eigenvalues ---    0.975021000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    31   30   29   28   27
 RFO step:  Lambda=-2.21535159D-04.
 DIIS coeffs:      0.46085     -3.71579      4.45521     -1.84635      1.64608
 Maximum step size (   0.740) exceeded in Quadratic search.
    -- Step size scaled by   0.973
 Iteration  1 RMS(Cart)=  0.16018587 RMS(Int)=  0.00956663
 Iteration  2 RMS(Cart)=  0.01202511 RMS(Int)=  0.00056800
 Iteration  3 RMS(Cart)=  0.00056722 RMS(Int)=  0.00015850
 Iteration  4 RMS(Cart)=  0.00000126 RMS(Int)=  0.00015849
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00015849
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.67718   0.00281   0.00508   0.00111   0.00619   2.68337
    R2        1.82800   0.00108   0.00098   0.00045   0.00143   1.82942
    R3        2.36300  -0.00006   0.00115  -0.00074   0.00040   2.36341
    R4        2.38210  -0.00059  -0.00007   0.00056   0.00049   2.38259
    R5        2.35991   0.00022   0.00071  -0.00004   0.00067   2.36058
    R6        2.70571   0.00008  -0.00044  -0.00020  -0.00065   2.70506
    R7        2.63282  -0.00072  -0.00033  -0.00039  -0.00071   2.63211
    R8        2.73989  -0.00189   0.00192  -0.00274  -0.00083   2.73906
    R9        2.73714  -0.00270   0.00232  -0.00214  -0.00017   2.73697
   R10        2.65815  -0.00045   0.01093  -0.00228   0.00845   2.66660
   R11        2.72948  -0.00005   0.00127  -0.00038   0.00089   2.73037
   R12        2.58953  -0.00064  -0.00175   0.00052  -0.00123   2.58830
   R13        1.88976  -0.00007   0.00115  -0.00056   0.00059   1.89035
   R14        2.72929   0.00055   0.00032   0.00078   0.00110   2.73039
   R15        2.59519   0.00071   0.00094   0.00052   0.00146   2.59665
   R16        1.88197  -0.00001   0.00008   0.00011   0.00019   1.88216
   R17        2.66393  -0.00591  -0.01748  -0.00247  -0.01981   2.64412
   R18        2.72844  -0.00268  -0.00878  -0.00025  -0.00869   2.71975
   R19        1.88927  -0.00290  -0.00719  -0.00187  -0.00906   1.88021
   R20        2.90905  -0.00102  -0.00122  -0.00042  -0.00164   2.90741
   R21        2.91559   0.00019   0.00151  -0.00031   0.00120   2.91679
   R22        2.14620   0.00015   0.00019   0.00002   0.00022   2.14642
   R23        2.91695  -0.00111  -0.00079   0.00011  -0.00068   2.91627
   R24        2.94531  -0.00045  -0.00111  -0.00106  -0.00217   2.94314
   R25        2.14560  -0.00009  -0.00029  -0.00005  -0.00035   2.14525
   R26        2.87158   0.00131   0.00403   0.00024   0.00427   2.87584
   R27        2.12640  -0.00003  -0.00054   0.00006  -0.00048   2.12592
   R28        2.11944  -0.00015  -0.00004  -0.00013  -0.00016   2.11928
   R29        2.94889   0.00059  -0.00035   0.00124   0.00088   2.94977
   R30        2.13294   0.00019   0.00031   0.00024   0.00055   2.13349
   R31        2.86699  -0.00023  -0.00041   0.00050   0.00009   2.86708
   R32        2.86388  -0.00052  -0.00240   0.00054  -0.00187   2.86202
   R33        2.12759   0.00000   0.00039   0.00005   0.00044   2.12803
   R34        2.91151   0.00039  -0.00089   0.00066  -0.00022   2.91128
   R35        2.13870  -0.00011   0.00016   0.00019   0.00036   2.13905
   R36        2.81082   0.00033   0.00058  -0.00003   0.00055   2.81137
   R37        2.12209  -0.00015  -0.00039   0.00000  -0.00039   2.12171
   R38        2.12208  -0.00006  -0.00044   0.00025  -0.00019   2.12189
   R39        2.88803  -0.00150  -0.00318   0.00042  -0.00286   2.88517
   R40        2.13267  -0.00008   0.00021  -0.00006   0.00014   2.13281
   R41        2.13675  -0.00021  -0.00102   0.00063  -0.00039   2.13636
   R42        2.88148  -0.00021   0.00138   0.00061   0.00215   2.88363
   R43        2.11515  -0.00020  -0.00034   0.00008  -0.00027   2.11488
   R44        2.12369  -0.00030  -0.00040   0.00005  -0.00036   2.12333
   R45        2.80882   0.00021   0.00022  -0.00011   0.00010   2.80893
   R46        2.12237  -0.00003  -0.00006   0.00001  -0.00005   2.12232
   R47        2.12315  -0.00008  -0.00008   0.00017   0.00009   2.12324
   R48        2.11028  -0.00009  -0.00026   0.00007  -0.00019   2.11010
   R49        2.11085  -0.00011  -0.00037   0.00005  -0.00032   2.11053
   R50        2.11114  -0.00004  -0.00005   0.00013   0.00008   2.11122
   R51        2.11054  -0.00007  -0.00025   0.00008  -0.00017   2.11037
   R52        2.10894  -0.00005   0.00013  -0.00005   0.00007   2.10901
   R53        2.11144   0.00004   0.00015   0.00004   0.00018   2.11162
   R54        2.12957  -0.00023  -0.00054   0.00038  -0.00016   2.12941
   R55        2.13383   0.00003   0.00018   0.00030   0.00048   2.13431
   R56        2.64601   0.00012   0.00017   0.00005   0.00022   2.64624
   R57        2.64675  -0.00015  -0.00028  -0.00027  -0.00055   2.64620
   R58        2.64664  -0.00004   0.00007  -0.00005   0.00002   2.64666
   R59        2.64462   0.00007   0.00016  -0.00007   0.00009   2.64472
   R60        2.88798   0.00096   0.00004   0.00010   0.00014   2.88812
   R61        2.63371  -0.00015  -0.00037   0.00009  -0.00028   2.63344
   R62        2.07905  -0.00002  -0.00009   0.00006  -0.00004   2.07901
   R63        2.63482   0.00011   0.00037  -0.00006   0.00031   2.63513
   R64        2.08452  -0.00002  -0.00010   0.00000  -0.00010   2.08443
   R65        2.63305  -0.00004  -0.00003  -0.00003  -0.00006   2.63299
   R66        2.07915  -0.00003  -0.00011   0.00006  -0.00005   2.07909
   R67        2.63486  -0.00008  -0.00011  -0.00001  -0.00012   2.63474
   R68        2.07950  -0.00008  -0.00018   0.00006  -0.00012   2.07938
   R69        2.12363  -0.00009  -0.00031   0.00024  -0.00007   2.12356
   R70        2.11648   0.00013   0.00062  -0.00010   0.00052   2.11700
   R71        2.63550   0.00010   0.00036  -0.00001   0.00035   2.63585
   R72        2.07829  -0.00001  -0.00006   0.00007   0.00001   2.07830
   R73        2.63540  -0.00004  -0.00020   0.00011  -0.00008   2.63531
   R74        2.07913  -0.00001  -0.00012   0.00007  -0.00005   2.07908
   R75        2.07805  -0.00005  -0.00016   0.00006  -0.00010   2.07795
   R76        2.63648  -0.00008  -0.00009   0.00001  -0.00008   2.63640
   R77        2.07851  -0.00001  -0.00009   0.00006  -0.00003   2.07848
   R78        2.63485  -0.00001   0.00004   0.00001   0.00005   2.63490
   R79        2.07826  -0.00001  -0.00005   0.00005   0.00000   2.07826
   R80        2.07784  -0.00003  -0.00014   0.00005  -0.00009   2.07775
   R81        2.66248  -0.00088  -0.00055  -0.00111  -0.00166   2.66081
   R82        2.65888  -0.00062  -0.00068   0.00018  -0.00050   2.65838
   R83        2.64251   0.00014   0.00001   0.00014   0.00015   2.64267
   R84        2.79803  -0.00021  -0.00004  -0.00041  -0.00046   2.79757
   R85        2.64474  -0.00016  -0.00008  -0.00045  -0.00053   2.64421
   R86        2.79844  -0.00012  -0.00002  -0.00030  -0.00033   2.79811
   R87        2.63270  -0.00010  -0.00013  -0.00028  -0.00041   2.63229
   R88        2.07971   0.00003   0.00005   0.00002   0.00006   2.07977
   R89        2.63036   0.00030   0.00046   0.00037   0.00083   2.63119
   R90        2.07975   0.00005   0.00003   0.00005   0.00008   2.07983
   R91        2.11319  -0.00015  -0.00073   0.00004  -0.00069   2.11250
   R92        2.11692   0.00005   0.00027   0.00000   0.00028   2.11720
   R93        2.11577  -0.00006  -0.00047   0.00019  -0.00028   2.11549
   R94        2.11235  -0.00003  -0.00007  -0.00005  -0.00012   2.11224
   R95        2.11484  -0.00007  -0.00022   0.00008  -0.00014   2.11470
   R96        2.11560  -0.00005  -0.00015   0.00013  -0.00002   2.11558
   R97        2.07882   0.00006   0.00004   0.00011   0.00015   2.07897
    A1        1.87908   0.00218   0.01065  -0.00125   0.00940   1.88848
    A2        1.99711  -0.00113  -0.00139   0.00036  -0.00103   1.99607
    A3        2.07012  -0.00047  -0.01210   0.00169  -0.00871   2.06141
    A4        2.06313   0.00021  -0.01420  -0.00041  -0.01307   2.05006
    A5        2.09690   0.00016  -0.00905   0.00189  -0.00654   2.09035
    A6        2.17426   0.00052   0.00401  -0.00130   0.00290   2.17716
    A7        2.03910  -0.00023  -0.00371   0.00131  -0.00221   2.03690
    A8        2.06688  -0.00027  -0.00227   0.00100  -0.00109   2.06579
    A9        2.14295  -0.00074  -0.00472  -0.00008  -0.00484   2.13810
   A10        2.02814   0.00037   0.00119   0.00031   0.00145   2.02959
   A11        2.06809   0.00032  -0.00035  -0.00033  -0.00071   2.06738
   A12        2.09501   0.00031   0.01136   0.00038   0.01090   2.10591
   A13        1.98550  -0.00041   0.02231   0.00109   0.02178   2.00728
   A14        2.03669   0.00027   0.02300   0.00255   0.02411   2.06081
   A15        2.00188  -0.00026   0.00191  -0.00144   0.00048   2.00236
   A16        1.94630  -0.00003  -0.00304   0.00157  -0.00147   1.94482
   A17        1.87579   0.00021   0.00022   0.00030   0.00055   1.87633
   A18        1.91144   0.00019  -0.00075   0.00037  -0.00038   1.91105
   A19        1.84578   0.00000   0.00238  -0.00064   0.00175   1.84753
   A20        1.87543  -0.00010  -0.00057  -0.00023  -0.00081   1.87462
   A21        1.99785  -0.00062  -0.00346   0.00073  -0.00274   1.99511
   A22        1.91403   0.00059   0.00969  -0.00291   0.00678   1.92080
   A23        1.87337   0.00002  -0.00394   0.00032  -0.00359   1.86979
   A24        1.91420  -0.00019  -0.00644   0.00110  -0.00535   1.90885
   A25        1.86718   0.00026  -0.00082   0.00138   0.00057   1.86775
   A26        1.89381  -0.00006   0.00520  -0.00060   0.00462   1.89843
   A27        2.00724  -0.00126  -0.00503  -0.00017  -0.00519   2.00204
   A28        1.88136   0.00028   0.00473  -0.00146   0.00325   1.88461
   A29        1.87907   0.00012  -0.00448   0.00066  -0.00381   1.87526
   A30        1.90383   0.00046   0.00372  -0.00145   0.00227   1.90610
   A31        1.90403   0.00067   0.00514   0.00125   0.00643   1.91046
   A32        1.88473  -0.00023  -0.00432   0.00128  -0.00305   1.88168
   A33        1.96967   0.00001   0.00695  -0.00390   0.00311   1.97278
   A34        1.91369   0.00008  -0.01786   0.00402  -0.01390   1.89978
   A35        1.81533   0.00022   0.01787   0.00036   0.01834   1.83367
   A36        1.93422   0.00038   0.00272   0.00066   0.00330   1.93752
   A37        1.92530  -0.00029  -0.00508  -0.00028  -0.00524   1.92006
   A38        1.90131  -0.00043  -0.00446  -0.00082  -0.00533   1.89598
   A39        1.90992  -0.00051  -0.00486   0.00021  -0.00465   1.90526
   A40        1.94008   0.00014   0.00188   0.00047   0.00234   1.94242
   A41        1.89811  -0.00007  -0.00233  -0.00041  -0.00274   1.89537
   A42        1.91002   0.00038   0.00399  -0.00064   0.00335   1.91336
   A43        1.89425   0.00013   0.00031   0.00005   0.00036   1.89460
   A44        1.91087  -0.00008   0.00093   0.00032   0.00125   1.91212
   A45        1.93957  -0.00036   0.00519   0.00041   0.00559   1.94516
   A46        1.95124  -0.00002   0.00101  -0.00017   0.00083   1.95207
   A47        1.88262   0.00014  -0.00100  -0.00093  -0.00193   1.88069
   A48        1.90815   0.00089  -0.00165   0.00329   0.00164   1.90979
   A49        1.88555  -0.00035  -0.00569  -0.00110  -0.00679   1.87876
   A50        1.89488  -0.00034   0.00184  -0.00167   0.00018   1.89506
   A51        1.96211  -0.00030  -0.00358   0.00085  -0.00273   1.95937
   A52        1.91875  -0.00004  -0.00025   0.00029   0.00004   1.91878
   A53        1.87598   0.00018   0.00256  -0.00111   0.00145   1.87742
   A54        1.91654   0.00026   0.00219  -0.00036   0.00183   1.91837
   A55        1.91237   0.00001   0.00049   0.00006   0.00055   1.91292
   A56        1.87572  -0.00009  -0.00132   0.00023  -0.00108   1.87464
   A57        2.14784   0.00020  -0.00177   0.00104  -0.00076   2.14709
   A58        2.12434   0.00001  -0.00241   0.00039  -0.00204   2.12230
   A59        2.00949  -0.00019   0.00410  -0.00074   0.00334   2.01283
   A60        1.99092  -0.00070   0.00685  -0.00085   0.00539   1.99630
   A61        1.88478  -0.00021  -0.01116   0.00132  -0.00970   1.87508
   A62        1.89926   0.00023   0.00436  -0.00113   0.00347   1.90273
   A63        1.90482   0.00054   0.00002   0.00080   0.00096   1.90577
   A64        1.89402   0.00020  -0.00127   0.00064  -0.00040   1.89362
   A65        1.88764  -0.00003   0.00096  -0.00081   0.00005   1.88769
   A66        1.93442  -0.00037  -0.00050   0.00076   0.00012   1.93454
   A67        1.89904   0.00006   0.00064   0.00042   0.00105   1.90009
   A68        1.91035   0.00029   0.00302  -0.00049   0.00263   1.91298
   A69        1.90711   0.00025  -0.00056  -0.00040  -0.00088   1.90624
   A70        1.92687  -0.00013  -0.00129  -0.00048  -0.00177   1.92510
   A71        1.88515  -0.00009  -0.00133   0.00018  -0.00116   1.88399
   A72        1.97006  -0.00002   0.00106  -0.00136  -0.00031   1.96976
   A73        1.90795   0.00022  -0.00254   0.00250  -0.00004   1.90792
   A74        1.87869  -0.00002  -0.00183   0.00024  -0.00159   1.87709
   A75        1.92366  -0.00007   0.00380  -0.00116   0.00263   1.92629
   A76        1.90628  -0.00022  -0.00129  -0.00026  -0.00155   1.90473
   A77        1.87426   0.00011   0.00065   0.00013   0.00079   1.87505
   A78        2.11446  -0.00016   0.00105  -0.00093   0.00015   2.11461
   A79        2.08189  -0.00040  -0.00104   0.00044  -0.00057   2.08132
   A80        2.08484   0.00053  -0.00031   0.00018  -0.00029   2.08456
   A81        1.93282   0.00008   0.00073   0.00005   0.00078   1.93360
   A82        1.91295   0.00011   0.00101  -0.00001   0.00100   1.91395
   A83        1.93155  -0.00021  -0.00164   0.00022  -0.00142   1.93013
   A84        1.89329  -0.00007  -0.00044  -0.00020  -0.00064   1.89265
   A85        1.90122   0.00003  -0.00003  -0.00012  -0.00015   1.90107
   A86        1.89111   0.00007   0.00039   0.00005   0.00044   1.89154
   A87        1.93020  -0.00001   0.00039  -0.00018   0.00021   1.93041
   A88        1.94282  -0.00005  -0.00145   0.00084  -0.00060   1.94222
   A89        1.91553   0.00006   0.00059  -0.00028   0.00032   1.91584
   A90        1.89282   0.00001  -0.00011  -0.00001  -0.00012   1.89270
   A91        1.89284   0.00001   0.00056  -0.00020   0.00036   1.89320
   A92        1.88840  -0.00001   0.00004  -0.00019  -0.00016   1.88824
   A93        1.98496  -0.00012  -0.00853  -0.00023  -0.00832   1.97664
   A94        1.91342  -0.00025  -0.00231  -0.00045  -0.00296   1.91046
   A95        1.87102   0.00038   0.00884   0.00221   0.01097   1.88198
   A96        1.90739   0.00017   0.00211  -0.00021   0.00181   1.90920
   A97        1.90476  -0.00022  -0.00055  -0.00132  -0.00203   1.90273
   A98        1.87922   0.00005   0.00098   0.00003   0.00107   1.88029
   A99        2.09354   0.00006   0.00082  -0.00002   0.00080   2.09434
   A100       2.10710  -0.00003  -0.00117   0.00029  -0.00087   2.10623
   A101       2.08245  -0.00003   0.00038  -0.00026   0.00012   2.08257
   A102       2.09892  -0.00021  -0.00008   0.00006  -0.00002   2.09890
   A103       2.10241   0.00031   0.00047  -0.00003   0.00044   2.10285
   A104       2.08178  -0.00011  -0.00041  -0.00004  -0.00045   2.08133
   A105       2.14162  -0.00110  -0.00203  -0.00046  -0.00252   2.13910
   A106       2.06715  -0.00057  -0.00189   0.00013  -0.00179   2.06536
   A107       2.07341   0.00165   0.00332   0.00015   0.00344   2.07685
   A108       2.10077   0.00002  -0.00035   0.00020  -0.00015   2.10063
   A109       2.09026  -0.00004  -0.00023  -0.00004  -0.00026   2.09000
   A110       2.09215   0.00002   0.00057  -0.00017   0.00041   2.09256
   A111       2.09724   0.00004  -0.00003   0.00019   0.00016   2.09740
   A112       2.10119  -0.00005  -0.00082   0.00005  -0.00077   2.10042
   A113       2.08476   0.00001   0.00084  -0.00024   0.00060   2.08536
   A114       2.09983   0.00007   0.00035   0.00004   0.00039   2.10022
   A115       2.08908  -0.00007  -0.00042   0.00002  -0.00040   2.08869
   A116       2.09426   0.00000   0.00006  -0.00006   0.00001   2.09427
   A117       2.09986   0.00003   0.00011   0.00003   0.00015   2.10001
   A118       2.09164   0.00000  -0.00026   0.00007  -0.00019   2.09146
   A119       2.09167  -0.00004   0.00015  -0.00010   0.00004   2.09172
   A120       1.93458   0.00197   0.00239   0.00012   0.00251   1.93709
   A121       1.87052  -0.00086  -0.00032  -0.00089  -0.00121   1.86931
   A122       1.95740  -0.00042  -0.00030   0.00073   0.00043   1.95783
   A123       1.88407  -0.00037  -0.00076   0.00009  -0.00067   1.88340
   A124       1.89304  -0.00035  -0.00043   0.00042  -0.00001   1.89303
   A125       1.92303   0.00004  -0.00060  -0.00052  -0.00112   1.92190
   A126       2.09586   0.00002   0.00012  -0.00003   0.00009   2.09595
   A127       2.09225  -0.00003  -0.00007   0.00001  -0.00006   2.09219
   A128       2.09507   0.00001  -0.00005   0.00002  -0.00003   2.09504
   A129       2.09877  -0.00003  -0.00029   0.00009  -0.00020   2.09857
   A130       2.08841   0.00001   0.00016  -0.00011   0.00006   2.08847
   A131       2.09600   0.00003   0.00013   0.00002   0.00014   2.09614
   A132       2.09127  -0.00002   0.00018  -0.00019  -0.00002   2.09125
   A133       2.09575   0.00002  -0.00009   0.00007  -0.00002   2.09574
   A134       2.09616   0.00000  -0.00009   0.00012   0.00003   2.09620
   A135       2.09678   0.00000  -0.00007   0.00001  -0.00006   2.09672
   A136       2.09199  -0.00002   0.00000  -0.00005  -0.00004   2.09195
   A137       2.09441   0.00001   0.00007   0.00003   0.00010   2.09451
   A138       2.09676   0.00002   0.00015   0.00001   0.00016   2.09692
   A139       2.09175  -0.00001   0.00003  -0.00003  -0.00001   2.09174
   A140       2.09467  -0.00002  -0.00018   0.00002  -0.00016   2.09452
   A141       2.09135  -0.00003  -0.00013  -0.00006  -0.00019   2.09116
   A142       2.09554   0.00002   0.00012   0.00003   0.00015   2.09570
   A143       2.09629   0.00001   0.00000   0.00003   0.00004   2.09633
   A144       2.04933   0.00012  -0.00173  -0.00047  -0.00220   2.04713
   A145       2.11341  -0.00056   0.00092  -0.00020   0.00071   2.11413
   A146       2.11636   0.00044   0.00087   0.00055   0.00141   2.11777
   A147       2.06885  -0.00010  -0.00025  -0.00004  -0.00030   2.06855
   A148       2.11860  -0.00032  -0.00240  -0.00073  -0.00313   2.11547
   A149       2.09572   0.00042   0.00265   0.00076   0.00341   2.09913
   A150       2.06965  -0.00005  -0.00047  -0.00036  -0.00084   2.06882
   A151       2.12083  -0.00046  -0.00001  -0.00051  -0.00052   2.12031
   A152       2.09263   0.00051   0.00051   0.00088   0.00139   2.09402
   A153       2.10664  -0.00006  -0.00013  -0.00022  -0.00035   2.10630
   A154       2.08512  -0.00010  -0.00082  -0.00008  -0.00090   2.08422
   A155       2.09142   0.00016   0.00095   0.00030   0.00125   2.09267
   A156       2.10609  -0.00012   0.00003  -0.00005  -0.00001   2.10607
   A157       2.08308   0.00015   0.00061   0.00023   0.00084   2.08392
   A158       2.09399  -0.00003  -0.00064  -0.00018  -0.00083   2.09317
   A159       1.93573   0.00014   0.00150   0.00049   0.00199   1.93772
   A160       1.92019   0.00007   0.00023   0.00038   0.00061   1.92080
   A161       1.93185  -0.00023  -0.00191  -0.00092  -0.00283   1.92902
   A162       1.88782   0.00002   0.00095  -0.00021   0.00074   1.88856
   A163       1.89062   0.00001   0.00123   0.00032   0.00155   1.89217
   A164       1.89650  -0.00001  -0.00200  -0.00005  -0.00205   1.89445
   A165       1.93668   0.00009   0.00037   0.00012   0.00050   1.93718
   A166       1.92617   0.00001   0.00033  -0.00006   0.00027   1.92645
   A167       1.92564  -0.00005  -0.00025  -0.00015  -0.00039   1.92524
   A168       1.89373  -0.00001  -0.00028   0.00026  -0.00003   1.89371
   A169       1.88933   0.00001  -0.00015   0.00008  -0.00007   1.88926
   A170       1.89111  -0.00005  -0.00005  -0.00025  -0.00030   1.89081
   A171       2.09842  -0.00011   0.00001   0.00013   0.00015   2.09857
   A172       2.09079   0.00020   0.00104   0.00013   0.00117   2.09196
   A173       2.09395  -0.00009  -0.00105  -0.00027  -0.00132   2.09264
    D1        0.64409  -0.00006  -0.33835   0.01939  -0.31877   0.32532
    D2       -1.52117  -0.00062  -0.33319   0.01830  -0.31487  -1.83605
    D3        2.73090  -0.00027  -0.32880   0.01722  -0.31179   2.41911
    D4        2.37182   0.00022   0.00478   0.00142   0.00620   2.37803
    D5       -1.85942   0.00034   0.00499   0.00108   0.00606  -1.85336
    D6        0.25316  -0.00044   0.00385   0.00028   0.00413   0.25730
    D7       -2.12556  -0.00067  -0.00660   0.00115  -0.00545  -2.13101
    D8        1.11181  -0.00076  -0.00727   0.00258  -0.00469   1.10712
    D9        0.89897  -0.00020   0.02572  -0.01260   0.01323   0.91220
   D10       -1.26074   0.00003   0.02920  -0.01231   0.01699  -1.24375
   D11        2.96837  -0.00023   0.01996  -0.01021   0.00985   2.97822
   D12       -2.58591  -0.00050  -0.06380  -0.00233  -0.06623  -2.65213
   D13        1.53757  -0.00027  -0.06033  -0.00204  -0.06247   1.47511
   D14       -0.51650  -0.00052  -0.06956   0.00007  -0.06960  -0.58611
   D15        2.61423  -0.00031  -0.07134   0.01145  -0.05982   2.55440
   D16       -1.54828  -0.00023  -0.07495   0.01287  -0.06211  -1.61040
   D17        0.49685  -0.00026  -0.07765   0.01203  -0.06551   0.43134
   D18       -0.17727  -0.00002   0.02141   0.00144   0.02284  -0.15443
   D19        1.94340   0.00007   0.01779   0.00286   0.02056   1.96396
   D20       -2.29465   0.00004   0.01509   0.00201   0.01715  -2.27749
   D21        0.00987   0.00038   0.08932  -0.00492   0.08459   0.09446
   D22        3.08316  -0.00002   0.08319  -0.01010   0.07337  -3.12665
   D23        2.80275  -0.00005  -0.00192   0.00546   0.00330   2.80605
   D24       -0.40715  -0.00045  -0.00805   0.00029  -0.00792  -0.41506
   D25       -0.90720   0.00033  -0.00512  -0.00090  -0.00602  -0.91322
   D26       -3.09254   0.00031  -0.00307  -0.00157  -0.00465  -3.09718
   D27        1.13948   0.00031  -0.00082  -0.00235  -0.00317   1.13631
   D28        2.31832  -0.00003   0.01486  -0.01534  -0.00046   2.31786
   D29        0.13299  -0.00005   0.01691  -0.01601   0.00091   0.13389
   D30       -1.91818  -0.00004   0.01916  -0.01679   0.00238  -1.91580
   D31        0.13211  -0.00035   0.01855  -0.02185  -0.00331   0.12880
   D32       -3.06769  -0.00005   0.01687  -0.00862   0.00824  -3.05944
   D33       -3.09464   0.00002  -0.00180  -0.00719  -0.00899  -3.10363
   D34       -0.01126   0.00032  -0.00349   0.00604   0.00256  -0.00870
   D35       -1.80080   0.00043   0.04369   0.00088   0.04457  -1.75623
   D36        2.34504  -0.00045   0.04134  -0.00355   0.03780   2.38283
   D37        0.26301  -0.00011   0.03912  -0.00079   0.03832   0.30133
   D38        1.02116   0.00032   0.02994   0.00048   0.03041   1.05157
   D39       -1.11619  -0.00056   0.02759  -0.00395   0.02364  -1.09255
   D40        3.08496  -0.00022   0.02537  -0.00120   0.02416   3.10913
   D41       -0.11394  -0.00055  -0.01986  -0.00538  -0.02523  -0.13917
   D42        3.07660  -0.00012  -0.00621  -0.00115  -0.00735   3.06925
   D43       -2.92898  -0.00045  -0.00605  -0.00508  -0.01113  -2.94011
   D44        0.26156  -0.00001   0.00761  -0.00085   0.00675   0.26831
   D45       -2.85932  -0.00022  -0.02243  -0.00620  -0.02871  -2.88803
   D46        0.34929   0.00016  -0.01652  -0.00107  -0.01774   0.33155
   D47       -0.32450   0.00014   0.08240   0.00123   0.08366  -0.24084
   D48        2.88411   0.00053   0.08831   0.00636   0.09463   2.97874
   D49        0.28561   0.00009   0.02534  -0.00046   0.02497   0.31059
   D50        2.42665   0.00003   0.02038  -0.00122   0.01932   2.44597
   D51       -1.82143   0.00017   0.02523  -0.00019   0.02512  -1.79631
   D52       -2.23215  -0.00007  -0.08194  -0.00759  -0.08978  -2.32193
   D53       -0.09112  -0.00012  -0.08691  -0.00835  -0.09543  -0.18655
   D54        1.94399   0.00002  -0.08205  -0.00733  -0.08963   1.85436
   D55       -0.89852   0.00021  -0.00669   0.00944   0.00274  -0.89578
   D56        1.22918   0.00017  -0.00174   0.00637   0.00462   1.23379
   D57       -3.02476   0.00010  -0.00672   0.00745   0.00074  -3.02402
   D58        1.30495   0.00012  -0.00993   0.01075   0.00081   1.30577
   D59       -2.85054   0.00008  -0.00498   0.00768   0.00269  -2.84785
   D60       -0.82129   0.00001  -0.00996   0.00876  -0.00118  -0.82247
   D61       -2.96222   0.00010  -0.00971   0.01032   0.00061  -2.96161
   D62       -0.83452   0.00006  -0.00477   0.00725   0.00248  -0.83204
   D63        1.19472  -0.00001  -0.00974   0.00833  -0.00139   1.19334
   D64       -1.07483  -0.00023   0.00042  -0.00437  -0.00396  -1.07878
   D65        1.06596  -0.00014   0.00057  -0.00404  -0.00348   1.06249
   D66        3.10251  -0.00018   0.00030  -0.00423  -0.00393   3.09858
   D67        2.97358  -0.00002   0.00078  -0.00397  -0.00318   2.97040
   D68       -1.16882   0.00007   0.00093  -0.00363  -0.00270  -1.17152
   D69        0.86773   0.00004   0.00067  -0.00382  -0.00315   0.86457
   D70        0.97656  -0.00006  -0.00134  -0.00328  -0.00461   0.97195
   D71        3.11735   0.00003  -0.00119  -0.00294  -0.00413   3.11322
   D72       -1.12929   0.00000  -0.00145  -0.00313  -0.00459  -1.13388
   D73        3.05891  -0.00001  -0.02096   0.01185  -0.00912   3.04980
   D74        0.94725  -0.00023  -0.02392   0.01221  -0.01171   0.93554
   D75       -1.15772  -0.00019  -0.02473   0.01179  -0.01294  -1.17066
   D76       -1.06466   0.00018  -0.01577   0.00940  -0.00637  -1.07103
   D77        3.10686  -0.00005  -0.01874   0.00977  -0.00897   3.09790
   D78        1.00190   0.00000  -0.01954   0.00935  -0.01019   0.99171
   D79        0.98601   0.00015  -0.01345   0.01006  -0.00340   0.98262
   D80       -1.12565  -0.00008  -0.01642   0.01042  -0.00599  -1.13165
   D81        3.05257  -0.00003  -0.01722   0.01000  -0.00722   3.04535
   D82        1.74732  -0.00028  -0.03087  -0.00243  -0.03328   1.71404
   D83       -1.33693  -0.00059  -0.02923  -0.01548  -0.04469  -1.38163
   D84       -0.46063   0.00021  -0.02870  -0.00208  -0.03077  -0.49140
   D85        2.73831  -0.00009  -0.02706  -0.01513  -0.04219   2.69612
   D86       -2.49458   0.00004  -0.02708  -0.00401  -0.03111  -2.52569
   D87        0.70435  -0.00027  -0.02545  -0.01706  -0.04252   0.66183
   D88        1.36573  -0.00003   0.13739  -0.00962   0.12775   1.49348
   D89       -2.76353   0.00036   0.12101  -0.00671   0.11431  -2.64922
   D90       -0.65639  -0.00012   0.11383  -0.00749   0.10632  -0.55007
   D91       -0.74977   0.00012   0.13193  -0.00652   0.12540  -0.62437
   D92        1.40416   0.00052   0.11555  -0.00361   0.11196   1.51611
   D93       -2.77189   0.00003   0.10837  -0.00438   0.10397  -2.66792
   D94       -2.80479  -0.00024   0.13201  -0.00794   0.12406  -2.68072
   D95       -0.65086   0.00015   0.11562  -0.00503   0.11062  -0.54024
   D96        1.45628  -0.00033   0.10845  -0.00581   0.10263   1.55891
   D97       -1.07056  -0.00016  -0.03451   0.00007  -0.03444  -1.10500
   D98        1.09152   0.00020  -0.03084   0.00245  -0.02838   1.06314
   D99       -3.13260   0.00009  -0.03276   0.00164  -0.03112   3.11947
   D100       3.02680  -0.00049  -0.03254   0.00172  -0.03079   2.99601
   D101      -1.09430  -0.00013  -0.02887   0.00409  -0.02473  -1.11903
   D102       0.96477  -0.00024  -0.03079   0.00329  -0.02747   0.93730
   D103       0.90550  -0.00009  -0.02501   0.00218  -0.02287   0.88263
   D104       3.06758   0.00027  -0.02134   0.00456  -0.01681   3.05077
   D105      -1.15653   0.00016  -0.02326   0.00375  -0.01955  -1.17609
   D106      -1.06645  -0.00010  -0.00238   0.00254   0.00016  -1.06629
   D107       3.12853  -0.00013  -0.00293   0.00276  -0.00017   3.12835
   D108       1.04381  -0.00015  -0.00303   0.00257  -0.00046   1.04334
   D109       1.06335  -0.00001  -0.00063   0.00284   0.00221   1.06556
   D110      -1.02486  -0.00003  -0.00119   0.00306   0.00188  -1.02298
   D111      -3.10958  -0.00005  -0.00128   0.00287   0.00159  -3.10799
   D112      -3.13541   0.00020   0.00302   0.00288   0.00590  -3.12950
   D113       1.05957   0.00017   0.00246   0.00310   0.00557   1.06514
   D114      -1.02515   0.00015   0.00237   0.00291   0.00528  -1.01987
   D115       0.90898  -0.00009  -0.00478   0.00349  -0.00129   0.90769
   D116      -1.19644  -0.00007  -0.00394   0.00306  -0.00087  -1.19732
   D117       2.99663  -0.00006  -0.00345   0.00295  -0.00050   2.99613
   D118      -1.20263   0.00020  -0.00256   0.00336   0.00080  -1.20183
   D119       2.97514   0.00023  -0.00171   0.00293   0.00122   2.97635
   D120       0.88503   0.00024  -0.00123   0.00282   0.00159   0.88661
   D121       3.00640  -0.00014  -0.00589   0.00349  -0.00240   3.00401
   D122       0.90098  -0.00011  -0.00505   0.00306  -0.00199   0.89900
   D123      -1.18913  -0.00010  -0.00456   0.00295  -0.00161  -1.19074
   D124      -1.02476  -0.00009  -0.00510  -0.01625  -0.02134  -1.04610
   D125       1.12287  -0.00003  -0.00134  -0.01686  -0.01819   1.10468
   D126      -3.12974   0.00021  -0.00290  -0.01525  -0.01814   3.13530
   D127       3.10323  -0.00026  -0.01124  -0.01900  -0.03024   3.07299
   D128      -1.03233  -0.00020  -0.00748  -0.01961  -0.02709  -1.05942
   D129       0.99825   0.00004  -0.00904  -0.01800  -0.02704   0.97121
   D130       1.05002  -0.00014  -0.00454  -0.01857  -0.02311   1.02690
   D131      -3.08554  -0.00008  -0.00078  -0.01918  -0.01996  -3.10551
   D132      -1.05496   0.00015  -0.00234  -0.01757  -0.01992  -1.07488
   D133      -1.55743  -0.00003   0.00804  -0.00368   0.00436  -1.55306
   D134       1.59924  -0.00010   0.00546  -0.00545   0.00002   1.59926
   D135       2.58373   0.00005   0.00928  -0.00438   0.00490   2.58862
   D136      -0.54279  -0.00002   0.00670  -0.00615   0.00055  -0.54225
   D137       0.52734   0.00000   0.00929  -0.00449   0.00480   0.53215
   D138      -2.59918  -0.00007   0.00671  -0.00625   0.00045  -2.59872
   D139       0.77148  -0.00034  -0.01131  -0.00273  -0.01412   0.75737
   D140       2.86890  -0.00022  -0.01190  -0.00248  -0.01446   2.85445
   D141      -1.35790  -0.00013  -0.01139  -0.00229  -0.01374  -1.37164
   D142      -1.33807   0.00001  -0.00155  -0.00444  -0.00596  -1.34404
   D143       0.75935   0.00013  -0.00214  -0.00420  -0.00630   0.75305
   D144       2.81573   0.00022  -0.00163  -0.00401  -0.00558   2.81014
   D145       2.89176  -0.00037  -0.00200  -0.00427  -0.00634   2.88542
   D146      -1.29401  -0.00025  -0.00258  -0.00403  -0.00667  -1.30068
   D147       0.76237  -0.00017  -0.00207  -0.00384  -0.00596   0.75642
   D148      -0.82511  -0.00023  -0.01000   0.00212  -0.00797  -0.83308
   D149      -2.96945   0.00005  -0.00263   0.00302   0.00029  -2.96916
   D150       1.26290   0.00002  -0.00470   0.00385  -0.00087   1.26203
   D151      -2.91771  -0.00023  -0.01013   0.00138  -0.00878  -2.92649
   D152       1.22113   0.00005  -0.00276   0.00228  -0.00052   1.22061
   D153      -0.82971   0.00002  -0.00483   0.00311  -0.00168  -0.83139
   D154       1.29460  -0.00020  -0.00740   0.00169  -0.00577   1.28883
   D155      -0.84975   0.00008  -0.00003   0.00259   0.00249  -0.84726
   D156      -2.90059   0.00005  -0.00210   0.00342   0.00133  -2.89925
   D157      -1.27133   0.00018   0.02339   0.00559   0.02898  -1.24236
   D158       1.88336   0.00023   0.02511   0.00630   0.03141   1.91476
   D159       2.87299  -0.00004   0.02313   0.00416   0.02730   2.90029
   D160      -0.25551   0.00000   0.02485   0.00488   0.02973  -0.22578
   D161       0.81782  -0.00001   0.02088   0.00484   0.02572   0.84354
   D162      -2.31068   0.00004   0.02259   0.00555   0.02815  -2.28253
   D163      -3.12762  -0.00004  -0.00190  -0.00094  -0.00284  -3.13047
   D164       0.01333  -0.00007  -0.00335  -0.00062  -0.00397   0.00936
   D165      -0.00089   0.00003   0.00063   0.00081   0.00144   0.00055
   D166       3.14007   0.00000  -0.00081   0.00113   0.00031   3.14038
   D167       3.12680   0.00009   0.00299   0.00159   0.00458   3.13138
   D168      -0.01650  -0.00006   0.00079   0.00023   0.00102  -0.01548
   D169       0.00018   0.00002   0.00042  -0.00017   0.00026   0.00044
   D170       3.14007  -0.00013  -0.00177  -0.00153  -0.00331   3.13677
   D171      -3.12872   0.00003   0.00219   0.00037   0.00256  -3.12615
   D172       0.01816   0.00006   0.00323   0.00011   0.00334   0.02150
   D173      -0.00007  -0.00001   0.00050  -0.00033   0.00017   0.00010
   D174      -3.13637   0.00002   0.00154  -0.00059   0.00094  -3.13543
   D175       3.12710  -0.00004  -0.00206  -0.00053  -0.00259   3.12451
   D176      -0.01779   0.00002  -0.00054  -0.00051  -0.00105  -0.01884
   D177      -0.00152   0.00000  -0.00036   0.00017  -0.00019  -0.00171
   D178       3.13678   0.00006   0.00115   0.00020   0.00135   3.13813
   D179       2.70480  -0.00017   0.00456  -0.00206   0.00250   2.70730
   D180       0.66115  -0.00001   0.00406  -0.00111   0.00296   0.66411
   D181      -1.42228   0.00035   0.00545  -0.00077   0.00468  -1.41760
   D182      -0.48363  -0.00060  -0.00851  -0.00613  -0.01464  -0.49827
   D183      -2.52728  -0.00044  -0.00901  -0.00518  -0.01419  -2.54147
   D184       1.67248  -0.00008  -0.00762  -0.00484  -0.01246   1.66001
   D185       0.00135  -0.00004  -0.00116  -0.00072  -0.00188  -0.00053
   D186      -3.14070  -0.00003  -0.00223   0.00045  -0.00179   3.14070
   D187      -3.13961  -0.00002   0.00029  -0.00104  -0.00075  -3.14036
   D188       0.00153  -0.00001  -0.00078   0.00013  -0.00066   0.00087
   D189       0.00006  -0.00005  -0.00095  -0.00057  -0.00152  -0.00146
   D190       3.14131  -0.00011  -0.00230  -0.00094  -0.00325   3.13806
   D191      -3.13984   0.00010   0.00124   0.00078   0.00201  -3.13783
   D192       0.00141   0.00004  -0.00011   0.00041   0.00029   0.00169
   D193       0.00173   0.00001  -0.00029   0.00021  -0.00009   0.00164
   D194      -3.13773   0.00000  -0.00041   0.00006  -0.00036  -3.13809
   D195       3.13802  -0.00002  -0.00133   0.00047  -0.00086   3.13716
   D196      -0.00144  -0.00003  -0.00145   0.00032  -0.00113  -0.00258
   D197       0.00147   0.00001   0.00000   0.00011   0.00012   0.00158
   D198      -3.14089   0.00002   0.00024   0.00015   0.00039  -3.14051
   D199      -3.13683  -0.00005  -0.00151   0.00009  -0.00142  -3.13826
   D200       0.00399  -0.00004  -0.00127   0.00012  -0.00115   0.00284
   D201      -0.00110   0.00001   0.00063  -0.00002   0.00061  -0.00049
   D202       3.13929   0.00006   0.00084   0.00114   0.00198   3.14127
   D203       3.14096   0.00000   0.00170  -0.00118   0.00052   3.14147
   D204      -0.00184   0.00005   0.00192  -0.00002   0.00189   0.00005
   D205       0.00039   0.00003   0.00043   0.00066   0.00109   0.00148
   D206      -3.13999  -0.00001   0.00022  -0.00050  -0.00029  -3.14028
   D207      -3.14085   0.00009   0.00178   0.00104   0.00282  -3.13803
   D208       0.00195   0.00005   0.00157  -0.00012   0.00145   0.00339
   D209      -0.00179   0.00000  -0.00007   0.00008   0.00001  -0.00178
   D210       3.14110  -0.00002  -0.00036  -0.00011  -0.00047   3.14063
   D211       3.13767   0.00000   0.00005   0.00023   0.00028   3.13795
   D212      -0.00262  -0.00001  -0.00024   0.00004  -0.00020  -0.00282
   D213       0.00020  -0.00001   0.00021  -0.00024  -0.00003   0.00017
   D214       3.14049   0.00001   0.00051  -0.00005   0.00045   3.14094
   D215      -3.14063  -0.00002  -0.00002  -0.00027  -0.00030  -3.14093
   D216      -0.00034  -0.00001   0.00027  -0.00009   0.00018  -0.00015
   D217      -3.06668  -0.00008   0.00148   0.00191   0.00339  -3.06329
   D218       0.06827  -0.00018   0.00037   0.00074   0.00111   0.06937
   D219      -0.02104  -0.00005   0.00215   0.00043   0.00259  -0.01845
   D220       3.11391  -0.00015   0.00104  -0.00074   0.00030   3.11421
   D221       3.07075   0.00008  -0.00157  -0.00220  -0.00377   3.06699
   D222      -0.05777  -0.00004  -0.00448  -0.00259  -0.00708  -0.06485
   D223       0.02863   0.00001  -0.00213  -0.00065  -0.00278   0.02585
   D224      -3.09989  -0.00011  -0.00504  -0.00105  -0.00609  -3.10598
   D225      -0.00113   0.00006  -0.00071   0.00005  -0.00066  -0.00178
   D226       3.14152  -0.00001  -0.00094   0.00018  -0.00075   3.14077
   D227      -3.13616   0.00016   0.00041   0.00121   0.00163  -3.13454
   D228       0.00648   0.00009   0.00019   0.00135   0.00153   0.00802
   D229      -2.79237  -0.00002  -0.02293  -0.01238  -0.03531  -2.82767
   D230       1.40291  -0.00018  -0.02521  -0.01268  -0.03789   1.36502
   D231      -0.69332  -0.00007  -0.02166  -0.01227  -0.03393  -0.72725
   D232       0.34248  -0.00012  -0.02407  -0.01357  -0.03764   0.30484
   D233      -1.74542  -0.00029  -0.02636  -0.01387  -0.04023  -1.78565
   D234       2.44152  -0.00018  -0.02280  -0.01346  -0.03627   2.40526
   D235      -0.01425   0.00004   0.00065   0.00039   0.00104  -0.01320
   D236       3.13450  -0.00001   0.00059   0.00055   0.00114   3.13564
   D237       3.11450   0.00015   0.00352   0.00077   0.00429   3.11879
   D238      -0.01994   0.00010   0.00346   0.00093   0.00438  -0.01556
   D239       2.80318   0.00008   0.00593   0.00391   0.00984   2.81301
   D240       0.70335   0.00002   0.00582   0.00355   0.00936   0.71271
   D241      -1.38606   0.00011   0.00582   0.00399   0.00982  -1.37624
   D242      -0.32518  -0.00004   0.00298   0.00352   0.00650  -0.31868
   D243      -2.42501  -0.00010   0.00287   0.00316   0.00602  -2.41898
   D244       1.76877  -0.00001   0.00288   0.00360   0.00648   1.77524
   D245       0.01522  -0.00002  -0.00074  -0.00031  -0.00105   0.01416
   D246      -3.13215  -0.00004  -0.00069  -0.00039  -0.00107  -3.13322
   D247      -3.12743   0.00005  -0.00051  -0.00045  -0.00096  -3.12839
   D248       0.00839   0.00003  -0.00046  -0.00052  -0.00098   0.00741
   D249      -0.00735  -0.00002   0.00077   0.00009   0.00086  -0.00649
   D250       3.14003  -0.00001   0.00071   0.00016   0.00087   3.14090
   D251       3.12705   0.00002   0.00084  -0.00006   0.00077   3.12782
   D252      -0.00876   0.00004   0.00078   0.00001   0.00079  -0.00798
         Item               Value     Threshold  Converged?
 Maximum Force            0.005913     0.000450     NO 
 RMS     Force            0.000479     0.000300     NO 
 Maximum Displacement     0.644600     0.001800     NO 
 RMS     Displacement     0.161166     0.001200     NO 
 Predicted change in Energy=-2.523469D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.208005   -0.055171   -1.062805
      2          8           0       -2.776391    0.153944   -2.489661
      3          8           0       -3.541503   -2.113322    1.363557
      4          8           0        2.274339    2.221152    2.231959
      5          8           0        3.491360   -1.044133    1.557017
      6          7           0       -2.875896   -2.654075   -0.801272
      7          7           0       -3.199365    0.395911   -0.238088
      8          7           0        2.145986    1.023164    0.271225
      9          7           0       -1.813181   -3.610905    1.159544
     10          6           0       -2.764673    1.767089   -0.102065
     11          6           0       -3.853664   -1.725452   -1.332802
     12          6           0       -1.386809    2.069347   -0.716254
     13          6           0       -0.274809    1.126933   -0.278897
     14          6           0       -4.423245   -2.122389   -2.711046
     15          6           0        1.112935    1.840244   -0.322750
     16          6           0       -2.781640    2.220357    1.373284
     17          6           0       -3.240937   -0.296218   -1.419285
     18          6           0       -1.755030   -3.020383   -1.642211
     19          6           0       -0.454564   -3.274260   -0.883697
     20          6           0        1.448043    2.219936   -1.777719
     21          6           0       -2.756694   -2.740945    0.602101
     22          6           0       -5.521556   -1.148736   -3.095224
     23          6           0       -4.976735   -3.532014   -2.692125
     24          6           0       -0.711609   -4.100437    0.373239
     25          6           0       -4.147337    2.173997    1.961512
     26          6           0        2.714708    2.988588   -1.896785
     27          6           0        2.607537    1.229797    1.548873
     28          6           0       -4.989001    3.289068    1.865928
     29          6           0       -4.600944    1.027291    2.624967
     30          6           0        2.781811    4.312688   -1.445334
     31          6           0        3.847071    2.405652   -2.476959
     32          6           0        3.634033    0.259075    2.131791
     33          6           0       -6.264792    3.258534    2.425767
     34          6           0       -5.878570    0.999706    3.183001
     35          6           0       -6.711702    2.113782    3.085587
     36          6           0        3.962982    5.040628   -1.572916
     37          6           0        5.027454    3.136485   -2.605402
     38          6           0        5.087667    4.454382   -2.154095
     39          6           0        4.694408   -1.653015    1.207772
     40          6           0        4.857814   -2.035458   -0.137447
     41          6           0        5.654554   -1.978934    2.182892
     42          6           0        6.014739   -2.733815   -0.497242
     43          6           0        6.803725   -2.670707    1.784427
     44          6           0        3.829305   -1.720849   -1.154704
     45          6           0        5.464872   -1.617323    3.606169
     46          6           0        6.984067   -3.041677    0.454561
     47          1           0       -3.505329    2.417860   -0.666022
     48          1           0       -4.725647   -1.705748   -0.606178
     49          1           0       -1.488842    2.027171   -1.835813
     50          1           0       -1.117097    3.121142   -0.435738
     51          1           0       -0.463534    0.769597    0.775295
     52          1           0       -3.598427   -2.051508   -3.474436
     53          1           0        1.030094    2.789774    0.287835
     54          1           0       -3.562359   -0.044231    0.583598
     55          1           0       -2.082985    1.582425    1.977860
     56          1           0       -2.391599    3.272687    1.409051
     57          1           0       -2.045260   -3.955075   -2.204296
     58          1           0       -1.575660   -2.197306   -2.396151
     59          1           0        0.251429   -3.829385   -1.551457
     60          1           0        0.022601   -2.293244   -0.614556
     61          1           0        1.495860    1.288348   -2.403156
     62          1           0        0.599997    2.844709   -2.168725
     63          1           0       -6.355719   -1.179559   -2.353571
     64          1           0       -5.930522   -1.420330   -4.098379
     65          1           0       -5.122044   -0.106743   -3.148059
     66          1           0       -5.694904   -3.660925   -1.846685
     67          1           0       -4.161352   -4.285877   -2.580826
     68          1           0       -5.515331   -3.739460   -3.648950
     69          1           0        0.221165   -4.120215    1.005142
     70          1           0       -0.946454   -5.163654    0.073193
     71          1           0        2.305830    0.136541   -0.153456
     72          1           0       -1.682134   -3.516224    2.141287
     73          1           0       -0.682640    0.104212   -1.891368
     74          1           0       -4.639330    4.194079    1.347225
     75          1           0       -3.953740    0.137798    2.706239
     76          1           0        1.897514    4.775923   -0.982849
     77          1           0        3.805960    1.364934   -2.831932
     78          1           0        3.429233    0.159191    3.232187
     79          1           0        4.657458    0.684005    1.967363
     80          1           0       -6.918903    4.139120    2.346743
     81          1           0       -6.227634    0.093157    3.699501
     82          1           0       -7.718307    2.090022    3.527523
     83          1           0        4.007995    6.078884   -1.212711
     84          1           0        5.912332    2.671018   -3.063463
     85          1           0        6.018987    5.029998   -2.255110
     86          1           0        6.157229   -3.040649   -1.544523
     87          1           0        7.566847   -2.927965    2.534613
     88          1           0        3.956268   -2.358671   -2.063954
     89          1           0        3.912090   -0.647661   -1.465594
     90          1           0        2.803189   -1.893794   -0.741926
     91          1           0        6.126817   -2.229749    4.266565
     92          1           0        4.402166   -1.786964    3.913013
     93          1           0        5.710211   -0.537171    3.768663
     94          1           0        7.892782   -3.584707    0.155102
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0839002      0.0412842      0.0362601
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3243.9840713154 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247494956074     A.U. after   15 cycles
             Convg  =    0.4362D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000158164    0.000868252   -0.000675978
      2        8          -0.000129657   -0.000501516    0.000135385
      3        8          -0.000286604    0.000087248   -0.000438306
      4        8          -0.000023787    0.000198988    0.000025677
      5        8          -0.000147636   -0.000044643    0.000031930
      6        7           0.000162191    0.000390608    0.000346971
      7        7          -0.000208798   -0.000396856    0.000394204
      8        7          -0.000123439   -0.000036170    0.000186575
      9        7          -0.000707349   -0.000404500   -0.000135501
     10        6           0.000304953    0.000016016    0.000060987
     11        6           0.000160055   -0.000139233   -0.000154002
     12        6          -0.000139345   -0.000159913   -0.000829859
     13        6          -0.000354199   -0.000475112    0.000066000
     14        6          -0.000175200    0.000093209    0.000229132
     15        6          -0.000207232    0.000160271    0.000062504
     16        6           0.000059752   -0.000048555   -0.000086678
     17        6          -0.000802937    0.000902910   -0.000517405
     18        6           0.000205688   -0.000242415   -0.000099207
     19        6          -0.000127129    0.000100630    0.000182534
     20        6           0.000024540    0.000437656    0.000068561
     21        6           0.001426985    0.000234900    0.000131964
     22        6           0.000047896    0.000025229    0.000012584
     23        6          -0.000040654   -0.000107233   -0.000097388
     24        6          -0.000103696    0.000202418   -0.000214922
     25        6          -0.000127175   -0.000047270    0.000046472
     26        6           0.000023147   -0.000037905   -0.000025611
     27        6          -0.000073149   -0.000483979    0.000013664
     28        6          -0.000043746    0.000032968   -0.000052575
     29        6          -0.000000919    0.000118758    0.000003916
     30        6           0.000004907   -0.000056840   -0.000038550
     31        6          -0.000000485   -0.000064031    0.000018535
     32        6           0.000008543    0.000233918   -0.000032853
     33        6           0.000033171   -0.000044394    0.000038820
     34        6          -0.000046949    0.000012870   -0.000027704
     35        6           0.000034584    0.000007909    0.000039835
     36        6           0.000001245    0.000002644    0.000011892
     37        6          -0.000008038    0.000016502   -0.000009014
     38        6          -0.000008185    0.000003757    0.000002976
     39        6           0.000020754    0.000087170   -0.000189334
     40        6          -0.000055276   -0.000048933    0.000223203
     41        6           0.000025588    0.000002326   -0.000080857
     42        6           0.000182577   -0.000026369    0.000022283
     43        6           0.000010233    0.000023753   -0.000038972
     44        6          -0.000032299   -0.000021833    0.000085008
     45        6          -0.000021671   -0.000019356   -0.000001341
     46        6          -0.000032707   -0.000038327    0.000116962
     47        1          -0.000046959    0.000020510    0.000013762
     48        1          -0.000056022    0.000070336    0.000063671
     49        1          -0.000397440   -0.000334382   -0.000160735
     50        1           0.000029764    0.000025560    0.000035831
     51        1           0.000205406   -0.000161188    0.000217285
     52        1          -0.000009682   -0.000004983    0.000014639
     53        1          -0.000025910   -0.000035636   -0.000063440
     54        1           0.000369200   -0.000067261    0.000089302
     55        1          -0.000031149   -0.000001202   -0.000032783
     56        1           0.000021501    0.000028445    0.000037851
     57        1          -0.000012269   -0.000013381    0.000025751
     58        1           0.000102979   -0.000088851   -0.000070010
     59        1          -0.000042970    0.000112308   -0.000001375
     60        1           0.000094672    0.000074418    0.000009913
     61        1          -0.000044424    0.000342207   -0.000099248
     62        1           0.000010204    0.000138017   -0.000031735
     63        1           0.000012757   -0.000015750    0.000008225
     64        1           0.000010811    0.000013090   -0.000022228
     65        1           0.000013659    0.000024352    0.000025993
     66        1           0.000002670   -0.000012492   -0.000000284
     67        1          -0.000020140    0.000003628   -0.000006085
     68        1           0.000003751   -0.000009805    0.000001280
     69        1          -0.000066363   -0.000023885   -0.000000096
     70        1          -0.000013320   -0.000003683   -0.000032487
     71        1          -0.000065837    0.000157319   -0.000049051
     72        1          -0.000078647   -0.000074070    0.000365840
     73        1           0.001299897   -0.000989240    0.001054384
     74        1           0.000010138    0.000003836   -0.000006378
     75        1           0.000109567    0.000035091   -0.000038626
     76        1           0.000023730    0.000003167   -0.000009351
     77        1           0.000030936    0.000032853   -0.000032977
     78        1           0.000019521   -0.000000220   -0.000069544
     79        1          -0.000010909    0.000005620    0.000058004
     80        1           0.000013768    0.000000211   -0.000014983
     81        1           0.000000454   -0.000007030   -0.000011070
     82        1           0.000011207   -0.000014847   -0.000010399
     83        1           0.000005584    0.000006728    0.000006357
     84        1          -0.000000386    0.000006626   -0.000006955
     85        1          -0.000002621    0.000014621    0.000005746
     86        1          -0.000016130   -0.000006449    0.000004297
     87        1           0.000011025   -0.000008453    0.000012626
     88        1          -0.000032463   -0.000036953   -0.000048072
     89        1           0.000023814   -0.000012805    0.000047586
     90        1          -0.000038077   -0.000036271   -0.000045083
     91        1          -0.000000678    0.000000058   -0.000018905
     92        1           0.000014899   -0.000008033   -0.000003901
     93        1           0.000004461    0.000023787   -0.000001829
     94        1           0.000005631    0.000008553   -0.000023227
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001426985 RMS     0.000225577

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.002563496 RMS     0.000257056
 Search for a local minimum.
 Step number  32 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   27   28   29   30   31
                                                     32
 DE= -7.89D-05 DEPred=-2.52D-04 R= 3.13D-01
 Trust test= 3.13D-01 RLast= 7.40D-01 DXMaxT set to 7.40D-01
     Eigenvalues ---    0.00127   0.00176   0.00212   0.00235   0.00249
     Eigenvalues ---    0.00261   0.00276   0.00326   0.00367   0.00415
     Eigenvalues ---    0.00433   0.00484   0.00523   0.00548   0.00558
     Eigenvalues ---    0.00621   0.00682   0.00720   0.00836   0.00963
     Eigenvalues ---    0.01294   0.01336   0.01385   0.01408   0.01441
     Eigenvalues ---    0.01452   0.01493   0.01540   0.01600   0.01722
     Eigenvalues ---    0.02006   0.02011   0.02080   0.02115   0.02127
     Eigenvalues ---    0.02144   0.02150   0.02151   0.02155   0.02161
     Eigenvalues ---    0.02170   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02181   0.02185   0.02187
     Eigenvalues ---    0.02188   0.02190   0.02285   0.02331   0.02449
     Eigenvalues ---    0.02636   0.02926   0.03090   0.03263   0.03539
     Eigenvalues ---    0.03798   0.03847   0.03992   0.04011   0.04208
     Eigenvalues ---    0.04384   0.04384   0.04521   0.04667   0.04737
     Eigenvalues ---    0.04820   0.04991   0.05014   0.05073   0.05193
     Eigenvalues ---    0.05340   0.05396   0.05437   0.05489   0.05561
     Eigenvalues ---    0.05595   0.05631   0.05650   0.05677   0.05926
     Eigenvalues ---    0.05970   0.06405   0.06794   0.06995   0.07119
     Eigenvalues ---    0.07135   0.07234   0.07370   0.07475   0.07523
     Eigenvalues ---    0.07797   0.08033   0.08249   0.08705   0.09216
     Eigenvalues ---    0.09384   0.09518   0.09695   0.10952   0.11593
     Eigenvalues ---    0.12133   0.12585   0.12869   0.12985   0.14079
     Eigenvalues ---    0.14349   0.15466   0.15852   0.15923   0.15974
     Eigenvalues ---    0.15994   0.15998   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16003   0.16008   0.16009   0.16013   0.16023
     Eigenvalues ---    0.16050   0.16181   0.16214   0.16400   0.16605
     Eigenvalues ---    0.16971   0.17694   0.18906   0.19131   0.19436
     Eigenvalues ---    0.20001   0.20391   0.21008   0.21248   0.21923
     Eigenvalues ---    0.21991   0.22000   0.22000   0.22002   0.22078
     Eigenvalues ---    0.22330   0.22502   0.23096   0.23241   0.23405
     Eigenvalues ---    0.23439   0.23511   0.23732   0.24038   0.24689
     Eigenvalues ---    0.24755   0.24857   0.24946   0.25022   0.25088
     Eigenvalues ---    0.25136   0.25643   0.25886   0.26359   0.26891
     Eigenvalues ---    0.26897   0.27695   0.27942   0.28192   0.28323
     Eigenvalues ---    0.28617   0.28927   0.29216   0.29810   0.30017
     Eigenvalues ---    0.30507   0.31073   0.31602   0.32137   0.32631
     Eigenvalues ---    0.33123   0.33692   0.34289   0.34434   0.34498
     Eigenvalues ---    0.34516   0.34599   0.34614   0.34662   0.34684
     Eigenvalues ---    0.34702   0.34712   0.34729   0.34738   0.34742
     Eigenvalues ---    0.34749   0.34756   0.34763   0.34776   0.34782
     Eigenvalues ---    0.34790   0.34799   0.34809   0.34818   0.34824
     Eigenvalues ---    0.34830   0.34843   0.34871   0.34905   0.34925
     Eigenvalues ---    0.35005   0.35378   0.35695   0.35882   0.35895
     Eigenvalues ---    0.35921   0.35946   0.35956   0.35970   0.35986
     Eigenvalues ---    0.35992   0.36004   0.36024   0.36031   0.36047
     Eigenvalues ---    0.36064   0.37159   0.38300   0.38585   0.40732
     Eigenvalues ---    0.40890   0.40913   0.42240   0.42285   0.42355
     Eigenvalues ---    0.42723   0.43516   0.43662   0.44938   0.45589
     Eigenvalues ---    0.45653   0.46074   0.46136   0.46201   0.46262
     Eigenvalues ---    0.46360   0.46511   0.46725   0.46764   0.46812
     Eigenvalues ---    0.46924   0.47111   0.47399   0.48346   0.50382
     Eigenvalues ---    0.50950   0.54299   0.55619   0.57582   0.59295
     Eigenvalues ---    0.61597   0.80357   0.90019   0.90970   0.94699
     Eigenvalues ---    1.023361000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    32   31   30   29   28
 RFO step:  Lambda=-8.02274455D-05.
 DIIS coeffs:      1.24749      0.61374     -0.33735     -0.18168     -0.34219
 Iteration  1 RMS(Cart)=  0.08325128 RMS(Int)=  0.00215508
 Iteration  2 RMS(Cart)=  0.00355683 RMS(Int)=  0.00008855
 Iteration  3 RMS(Cart)=  0.00003813 RMS(Int)=  0.00008113
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00008113
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68337   0.00075  -0.00228   0.00105  -0.00123   2.68215
    R2        1.82942  -0.00008   0.00066   0.00044   0.00111   1.83053
    R3        2.36341   0.00053  -0.00014   0.00019   0.00005   2.36346
    R4        2.38259   0.00050  -0.00032   0.00045   0.00013   2.38273
    R5        2.36058   0.00000  -0.00005  -0.00005  -0.00009   2.36049
    R6        2.70506  -0.00001  -0.00018  -0.00011  -0.00030   2.70477
    R7        2.63211   0.00013  -0.00007  -0.00004  -0.00011   2.63200
    R8        2.73906   0.00058  -0.00090   0.00184   0.00094   2.73999
    R9        2.73697   0.00022  -0.00064   0.00142   0.00081   2.73779
   R10        2.66660   0.00041  -0.00392   0.00215  -0.00183   2.66477
   R11        2.73037   0.00023  -0.00022  -0.00025  -0.00047   2.72990
   R12        2.58830  -0.00033  -0.00012  -0.00101  -0.00114   2.58716
   R13        1.89035   0.00001  -0.00113  -0.00027  -0.00140   1.88895
   R14        2.73039  -0.00037   0.00053  -0.00052   0.00001   2.73040
   R15        2.59665  -0.00018   0.00061   0.00031   0.00093   2.59757
   R16        1.88216  -0.00005   0.00018   0.00006   0.00023   1.88239
   R17        2.64412  -0.00089   0.00364  -0.00420  -0.00067   2.64346
   R18        2.71975  -0.00037   0.00088  -0.00266  -0.00182   2.71793
   R19        1.88021  -0.00037   0.00064  -0.00215  -0.00150   1.87871
   R20        2.90741   0.00028  -0.00050  -0.00099  -0.00149   2.90592
   R21        2.91679   0.00014  -0.00006   0.00008   0.00002   2.91682
   R22        2.14642   0.00005   0.00039   0.00048   0.00088   2.14729
   R23        2.91627   0.00021   0.00080   0.00068   0.00148   2.91775
   R24        2.94314   0.00046  -0.00003   0.00071   0.00068   2.94382
   R25        2.14525   0.00005  -0.00030   0.00007  -0.00023   2.14503
   R26        2.87584   0.00049  -0.00121   0.00041  -0.00080   2.87504
   R27        2.12592   0.00015   0.00033   0.00022   0.00055   2.12647
   R28        2.11928  -0.00005  -0.00011  -0.00014  -0.00025   2.11903
   R29        2.94977  -0.00098  -0.00007  -0.00178  -0.00186   2.94791
   R30        2.13349  -0.00016  -0.00024   0.00005  -0.00019   2.13330
   R31        2.86708  -0.00009   0.00017  -0.00058  -0.00041   2.86668
   R32        2.86202  -0.00017   0.00052  -0.00112  -0.00060   2.86142
   R33        2.12803   0.00001   0.00016   0.00022   0.00038   2.12841
   R34        2.91128  -0.00074  -0.00032  -0.00139  -0.00171   2.90957
   R35        2.13905   0.00007  -0.00003   0.00027   0.00023   2.13929
   R36        2.81137   0.00009   0.00016   0.00005   0.00022   2.81158
   R37        2.12171  -0.00002   0.00024  -0.00013   0.00011   2.12182
   R38        2.12189  -0.00005   0.00053  -0.00002   0.00051   2.12240
   R39        2.88517  -0.00024   0.00021  -0.00067  -0.00038   2.88479
   R40        2.13281   0.00002  -0.00020   0.00013  -0.00007   2.13275
   R41        2.13636   0.00001   0.00068   0.00020   0.00088   2.13724
   R42        2.88363  -0.00015  -0.00013  -0.00032  -0.00037   2.88326
   R43        2.11488  -0.00008   0.00001  -0.00032  -0.00031   2.11457
   R44        2.12333  -0.00007   0.00000  -0.00024  -0.00023   2.12309
   R45        2.80893   0.00011   0.00004   0.00038   0.00041   2.80934
   R46        2.12232  -0.00006   0.00000  -0.00016  -0.00015   2.12217
   R47        2.12324  -0.00001   0.00020   0.00007   0.00027   2.12351
   R48        2.11010  -0.00002   0.00011  -0.00005   0.00006   2.11015
   R49        2.11053  -0.00003   0.00008  -0.00009   0.00000   2.11052
   R50        2.11122  -0.00004   0.00017  -0.00003   0.00014   2.11136
   R51        2.11037  -0.00001   0.00005  -0.00006  -0.00001   2.11036
   R52        2.10901  -0.00002  -0.00003  -0.00004  -0.00007   2.10894
   R53        2.11162   0.00000   0.00004   0.00008   0.00012   2.11175
   R54        2.12941  -0.00005   0.00000  -0.00025  -0.00026   2.12915
   R55        2.13431  -0.00003   0.00019   0.00003   0.00022   2.13454
   R56        2.64624   0.00000   0.00018   0.00006   0.00024   2.64648
   R57        2.64620   0.00017  -0.00020   0.00003  -0.00017   2.64603
   R58        2.64666   0.00003  -0.00012   0.00000  -0.00013   2.64654
   R59        2.64472   0.00001   0.00004   0.00006   0.00010   2.64481
   R60        2.88812  -0.00006  -0.00030   0.00018  -0.00012   2.88800
   R61        2.63344  -0.00006   0.00008  -0.00025  -0.00017   2.63327
   R62        2.07901  -0.00001   0.00013   0.00002   0.00015   2.07916
   R63        2.63513   0.00000   0.00004   0.00006   0.00009   2.63522
   R64        2.08443   0.00009   0.00000   0.00019   0.00019   2.08462
   R65        2.63299  -0.00003   0.00005  -0.00010  -0.00004   2.63295
   R66        2.07909  -0.00001   0.00008   0.00000   0.00008   2.07918
   R67        2.63474  -0.00003   0.00000  -0.00014  -0.00014   2.63459
   R68        2.07938   0.00000   0.00006   0.00000   0.00006   2.07943
   R69        2.12356   0.00005   0.00025   0.00041   0.00066   2.12422
   R70        2.11700  -0.00002  -0.00002   0.00007   0.00006   2.11706
   R71        2.63585   0.00000  -0.00004   0.00004   0.00000   2.63585
   R72        2.07830  -0.00001   0.00007   0.00000   0.00006   2.07837
   R73        2.63531  -0.00005   0.00008  -0.00018  -0.00010   2.63522
   R74        2.07908  -0.00001   0.00013   0.00001   0.00014   2.07922
   R75        2.07795  -0.00002   0.00005  -0.00005  -0.00001   2.07794
   R76        2.63640  -0.00002   0.00001  -0.00014  -0.00013   2.63628
   R77        2.07848  -0.00001   0.00009   0.00000   0.00009   2.07858
   R78        2.63490  -0.00002   0.00002  -0.00009  -0.00007   2.63484
   R79        2.07826  -0.00001   0.00007   0.00001   0.00008   2.07834
   R80        2.07775  -0.00002   0.00009  -0.00002   0.00006   2.07781
   R81        2.66081   0.00036  -0.00071   0.00005  -0.00066   2.66015
   R82        2.65838   0.00008   0.00061   0.00024   0.00085   2.65923
   R83        2.64267   0.00014   0.00037   0.00065   0.00103   2.64369
   R84        2.79757   0.00009  -0.00011  -0.00011  -0.00022   2.79735
   R85        2.64421   0.00005  -0.00068  -0.00018  -0.00086   2.64335
   R86        2.79811   0.00002  -0.00023  -0.00013  -0.00036   2.79775
   R87        2.63229  -0.00004  -0.00044  -0.00032  -0.00076   2.63153
   R88        2.07977   0.00001  -0.00004   0.00008   0.00004   2.07981
   R89        2.63119   0.00008   0.00035   0.00072   0.00107   2.63226
   R90        2.07983   0.00000   0.00008   0.00011   0.00019   2.08002
   R91        2.11250  -0.00005   0.00019  -0.00024  -0.00005   2.11245
   R92        2.11720  -0.00002   0.00006   0.00002   0.00008   2.11728
   R93        2.11549  -0.00001   0.00056   0.00016   0.00072   2.11621
   R94        2.11224   0.00000  -0.00006   0.00000  -0.00006   2.11218
   R95        2.11470  -0.00001   0.00018  -0.00003   0.00016   2.11486
   R96        2.11558  -0.00001   0.00021   0.00002   0.00022   2.11581
   R97        2.07897  -0.00001   0.00015   0.00010   0.00025   2.07922
    A1        1.88848   0.00256  -0.00448   0.00855   0.00408   1.89256
    A2        1.99607   0.00006   0.00036  -0.00045  -0.00009   1.99598
    A3        2.06141   0.00031  -0.00068  -0.00205  -0.00218   2.05924
    A4        2.05006  -0.00004   0.00298  -0.00168   0.00178   2.05185
    A5        2.09035  -0.00025   0.00176  -0.00172   0.00012   2.09048
    A6        2.17716   0.00067   0.00105   0.00267   0.00337   2.18053
    A7        2.03690  -0.00020   0.00054  -0.00039  -0.00019   2.03671
    A8        2.06579  -0.00048   0.00045  -0.00082  -0.00072   2.06507
    A9        2.13810   0.00010   0.00011  -0.00127  -0.00124   2.13687
   A10        2.02959  -0.00006  -0.00079  -0.00047  -0.00134   2.02825
   A11        2.06738  -0.00006  -0.00124  -0.00174  -0.00305   2.06433
   A12        2.10591   0.00021  -0.00492   0.00310  -0.00155   2.10435
   A13        2.00728  -0.00005  -0.00728   0.00674   0.00043   2.00771
   A14        2.06081  -0.00012  -0.00512   0.00611   0.00194   2.06275
   A15        2.00236   0.00090   0.00013   0.00165   0.00178   2.00414
   A16        1.94482  -0.00008   0.00167  -0.00050   0.00118   1.94600
   A17        1.87633  -0.00035  -0.00106  -0.00046  -0.00152   1.87482
   A18        1.91105  -0.00073   0.00054  -0.00089  -0.00035   1.91070
   A19        1.84753   0.00006  -0.00179   0.00048  -0.00131   1.84622
   A20        1.87462   0.00019   0.00029  -0.00034  -0.00005   1.87457
   A21        1.99511  -0.00017   0.00048  -0.00093  -0.00046   1.99466
   A22        1.92080   0.00065  -0.00083   0.00626   0.00544   1.92624
   A23        1.86979  -0.00018  -0.00031  -0.00221  -0.00251   1.86727
   A24        1.90885  -0.00030   0.00083  -0.00247  -0.00165   1.90720
   A25        1.86775   0.00008   0.00086  -0.00140  -0.00054   1.86721
   A26        1.89843  -0.00011  -0.00111   0.00060  -0.00051   1.89793
   A27        2.00204  -0.00032   0.00134  -0.00284  -0.00150   2.00054
   A28        1.88461   0.00016  -0.00250   0.00178  -0.00073   1.88387
   A29        1.87526   0.00001   0.00212  -0.00092   0.00119   1.87645
   A30        1.90610   0.00052  -0.00153   0.00308   0.00154   1.90764
   A31        1.91046  -0.00018  -0.00145  -0.00032  -0.00176   1.90870
   A32        1.88168  -0.00019   0.00220  -0.00075   0.00145   1.88313
   A33        1.97278   0.00224  -0.00274   0.00429   0.00153   1.97431
   A34        1.89978  -0.00110   0.01128  -0.00084   0.01042   1.91021
   A35        1.83367  -0.00053  -0.01022  -0.00072  -0.01093   1.82274
   A36        1.93752  -0.00090  -0.00124  -0.00023  -0.00150   1.93602
   A37        1.92006  -0.00036   0.00160  -0.00151   0.00010   1.92016
   A38        1.89598   0.00064   0.00113  -0.00119  -0.00007   1.89591
   A39        1.90526   0.00002   0.00031  -0.00134  -0.00103   1.90423
   A40        1.94242  -0.00002   0.00046   0.00075   0.00121   1.94363
   A41        1.89537   0.00001  -0.00059  -0.00056  -0.00114   1.89423
   A42        1.91336  -0.00003  -0.00077   0.00066  -0.00012   1.91325
   A43        1.89460   0.00001   0.00028   0.00021   0.00049   1.89510
   A44        1.91212   0.00000   0.00032   0.00025   0.00056   1.91268
   A45        1.94516   0.00023  -0.00219   0.00003  -0.00216   1.94299
   A46        1.95207   0.00020  -0.00029  -0.00088  -0.00117   1.95090
   A47        1.88069  -0.00010   0.00118   0.00074   0.00192   1.88260
   A48        1.90979  -0.00077   0.00152  -0.00039   0.00113   1.91093
   A49        1.87876   0.00026   0.00147  -0.00010   0.00138   1.88013
   A50        1.89506   0.00021  -0.00164   0.00067  -0.00097   1.89409
   A51        1.95937   0.00013   0.00146   0.00010   0.00157   1.96094
   A52        1.91878   0.00003   0.00031   0.00028   0.00059   1.91937
   A53        1.87742  -0.00009  -0.00110  -0.00041  -0.00151   1.87591
   A54        1.91837  -0.00008  -0.00077   0.00005  -0.00072   1.91765
   A55        1.91292  -0.00001  -0.00046   0.00016  -0.00030   1.91261
   A56        1.87464   0.00001   0.00052  -0.00020   0.00032   1.87495
   A57        2.14709  -0.00008   0.00175  -0.00005   0.00167   2.14876
   A58        2.12230   0.00017   0.00038  -0.00052  -0.00016   2.12214
   A59        2.01283  -0.00010  -0.00177   0.00023  -0.00156   2.01127
   A60        1.99630  -0.00003  -0.00153   0.00292   0.00120   1.99751
   A61        1.87508  -0.00004   0.00154  -0.00306  -0.00146   1.87362
   A62        1.90273   0.00014  -0.00172   0.00129  -0.00037   1.90235
   A63        1.90577  -0.00003   0.00121  -0.00042   0.00081   1.90658
   A64        1.89362  -0.00006  -0.00015  -0.00078  -0.00085   1.89277
   A65        1.88769   0.00002   0.00076  -0.00007   0.00067   1.88836
   A66        1.93454   0.00007   0.00029   0.00084   0.00104   1.93558
   A67        1.90009  -0.00005   0.00002   0.00036   0.00045   1.90054
   A68        1.91298   0.00006  -0.00195   0.00103  -0.00093   1.91205
   A69        1.90624   0.00002   0.00040  -0.00062  -0.00021   1.90603
   A70        1.92510  -0.00013   0.00058  -0.00143  -0.00081   1.92429
   A71        1.88399   0.00003   0.00067  -0.00019   0.00047   1.88446
   A72        1.96976   0.00011  -0.00032  -0.00032  -0.00064   1.96912
   A73        1.90792  -0.00032   0.00139  -0.00047   0.00092   1.90884
   A74        1.87709  -0.00009   0.00033  -0.00007   0.00026   1.87736
   A75        1.92629   0.00019  -0.00158   0.00013  -0.00146   1.92483
   A76        1.90473   0.00007  -0.00039   0.00044   0.00005   1.90478
   A77        1.87505   0.00003   0.00067   0.00032   0.00099   1.87604
   A78        2.11461  -0.00004   0.00042   0.00008   0.00070   2.11531
   A79        2.08132  -0.00004  -0.00088  -0.00016  -0.00084   2.08048
   A80        2.08456   0.00008   0.00033   0.00019   0.00007   2.08463
   A81        1.93360  -0.00001  -0.00001   0.00014   0.00013   1.93372
   A82        1.91395   0.00000   0.00004   0.00042   0.00047   1.91442
   A83        1.93013   0.00000   0.00012  -0.00078  -0.00066   1.92947
   A84        1.89265   0.00000  -0.00011  -0.00008  -0.00020   1.89245
   A85        1.90107   0.00001  -0.00015  -0.00003  -0.00018   1.90089
   A86        1.89154   0.00000   0.00010   0.00036   0.00045   1.89200
   A87        1.93041  -0.00001  -0.00040  -0.00013  -0.00053   1.92988
   A88        1.94222   0.00000   0.00074  -0.00013   0.00061   1.94283
   A89        1.91584  -0.00001  -0.00043  -0.00004  -0.00048   1.91537
   A90        1.89270   0.00000   0.00022   0.00006   0.00028   1.89298
   A91        1.89320   0.00001  -0.00013   0.00026   0.00012   1.89332
   A92        1.88824   0.00000   0.00001  -0.00001   0.00000   1.88824
   A93        1.97664  -0.00002   0.00223  -0.00246  -0.00044   1.97621
   A94        1.91046   0.00002   0.00053  -0.00048   0.00016   1.91062
   A95        1.88198  -0.00001  -0.00206   0.00261   0.00058   1.88256
   A96        1.90920  -0.00003  -0.00007   0.00041   0.00042   1.90962
   A97        1.90273   0.00003  -0.00043  -0.00051  -0.00090   1.90184
   A98        1.88029   0.00001  -0.00037   0.00059   0.00020   1.88049
   A99        2.09434  -0.00002  -0.00054   0.00002  -0.00052   2.09382
   A100       2.10623   0.00003   0.00100   0.00005   0.00105   2.10729
   A101       2.08257  -0.00001  -0.00047  -0.00007  -0.00054   2.08203
   A102       2.09890   0.00006  -0.00004   0.00021   0.00017   2.09907
   A103       2.10285  -0.00003  -0.00011  -0.00007  -0.00018   2.10267
   A104       2.08133  -0.00003   0.00015  -0.00013   0.00002   2.08135
   A105       2.13910   0.00014   0.00009  -0.00022  -0.00014   2.13896
   A106       2.06536   0.00015   0.00070   0.00083   0.00152   2.06688
   A107       2.07685  -0.00028  -0.00085  -0.00016  -0.00102   2.07584
   A108       2.10063  -0.00001   0.00035  -0.00001   0.00034   2.10097
   A109       2.09000   0.00000   0.00022   0.00000   0.00022   2.09022
   A110       2.09256   0.00001  -0.00057   0.00001  -0.00056   2.09200
   A111       2.09740  -0.00003   0.00025   0.00003   0.00028   2.09768
   A112       2.10042   0.00005   0.00083   0.00016   0.00099   2.10140
   A113       2.08536  -0.00001  -0.00108  -0.00019  -0.00127   2.08409
   A114       2.10022   0.00001  -0.00012   0.00006  -0.00006   2.10016
   A115       2.08869   0.00000   0.00016   0.00000   0.00016   2.08885
   A116       2.09427   0.00000  -0.00004  -0.00006  -0.00011   2.09416
   A117       2.10001   0.00001  -0.00008   0.00004  -0.00004   2.09997
   A118       2.09146  -0.00002   0.00018  -0.00004   0.00014   2.09160
   A119       2.09172   0.00001  -0.00011   0.00000  -0.00010   2.09161
   A120       1.93709  -0.00027  -0.00056  -0.00047  -0.00103   1.93606
   A121       1.86931   0.00018  -0.00094   0.00092  -0.00002   1.86929
   A122       1.95783  -0.00003   0.00099  -0.00087   0.00012   1.95796
   A123       1.88340   0.00003   0.00052   0.00079   0.00131   1.88471
   A124       1.89303   0.00010   0.00031  -0.00002   0.00029   1.89332
   A125       1.92190  -0.00002  -0.00034  -0.00030  -0.00064   1.92127
   A126       2.09595   0.00003  -0.00002   0.00009   0.00007   2.09602
   A127       2.09219  -0.00001  -0.00013  -0.00010  -0.00023   2.09196
   A128       2.09504  -0.00001   0.00015   0.00000   0.00016   2.09520
   A129       2.09857   0.00000   0.00015  -0.00003   0.00012   2.09869
   A130       2.08847   0.00000  -0.00008   0.00001  -0.00007   2.08840
   A131       2.09614   0.00000  -0.00007   0.00002  -0.00005   2.09609
   A132       2.09125   0.00002  -0.00025  -0.00002  -0.00027   2.09098
   A133       2.09574  -0.00001   0.00023   0.00002   0.00025   2.09599
   A134       2.09620  -0.00001   0.00002  -0.00001   0.00002   2.09621
   A135       2.09672   0.00000   0.00004   0.00002   0.00006   2.09679
   A136       2.09195   0.00000  -0.00005  -0.00006  -0.00011   2.09184
   A137       2.09451   0.00000   0.00001   0.00004   0.00005   2.09456
   A138       2.09692   0.00001  -0.00001   0.00004   0.00003   2.09695
   A139       2.09174   0.00000  -0.00005  -0.00001  -0.00006   2.09168
   A140       2.09452   0.00000   0.00007  -0.00003   0.00004   2.09456
   A141       2.09116   0.00001   0.00001  -0.00003  -0.00002   2.09115
   A142       2.09570   0.00000  -0.00003   0.00003   0.00000   2.09570
   A143       2.09633   0.00000   0.00002  -0.00001   0.00001   2.09634
   A144       2.04713   0.00016   0.00014   0.00045   0.00059   2.04772
   A145       2.11413  -0.00012  -0.00066  -0.00089  -0.00155   2.11257
   A146       2.11777  -0.00005   0.00033   0.00047   0.00080   2.11857
   A147       2.06855  -0.00005  -0.00015  -0.00026  -0.00041   2.06814
   A148       2.11547   0.00009   0.00010  -0.00027  -0.00017   2.11530
   A149       2.09913  -0.00004   0.00005   0.00054   0.00059   2.09972
   A150       2.06882   0.00000  -0.00021  -0.00029  -0.00050   2.06832
   A151       2.12031  -0.00001  -0.00107  -0.00078  -0.00185   2.11846
   A152       2.09402   0.00001   0.00128   0.00108   0.00236   2.09638
   A153       2.10630   0.00002  -0.00013  -0.00006  -0.00019   2.10611
   A154       2.08422  -0.00003  -0.00026  -0.00045  -0.00071   2.08351
   A155       2.09267   0.00000   0.00039   0.00051   0.00090   2.09357
   A156       2.10607   0.00005  -0.00006   0.00007   0.00001   2.10608
   A157       2.08392  -0.00001   0.00043   0.00049   0.00092   2.08484
   A158       2.09317  -0.00004  -0.00037  -0.00056  -0.00093   2.09224
   A159       1.93772   0.00003  -0.00024   0.00042   0.00018   1.93789
   A160       1.92080  -0.00001   0.00026   0.00012   0.00037   1.92117
   A161       1.92902   0.00003   0.00003  -0.00036  -0.00033   1.92869
   A162       1.88856  -0.00005  -0.00047  -0.00047  -0.00094   1.88761
   A163       1.89217   0.00002   0.00020   0.00066   0.00086   1.89302
   A164       1.89445  -0.00002   0.00023  -0.00038  -0.00014   1.89430
   A165       1.93718   0.00002  -0.00004   0.00034   0.00030   1.93748
   A166       1.92645   0.00000  -0.00011  -0.00008  -0.00019   1.92626
   A167       1.92524   0.00002  -0.00014  -0.00003  -0.00017   1.92508
   A168       1.89371  -0.00001   0.00047   0.00011   0.00058   1.89429
   A169       1.88926  -0.00002   0.00014  -0.00002   0.00013   1.88939
   A170       1.89081  -0.00001  -0.00033  -0.00034  -0.00066   1.89015
   A171       2.09857   0.00003   0.00023   0.00013   0.00036   2.09893
   A172       2.09196   0.00001   0.00023   0.00054   0.00077   2.09274
   A173       2.09264  -0.00004  -0.00047  -0.00066  -0.00113   2.09150
    D1        0.32532   0.00049   0.21894   0.00574   0.22471   0.55003
    D2       -1.83605   0.00090   0.21410   0.00367   0.21777  -1.61828
    D3        2.41911   0.00095   0.21287   0.00581   0.21865   2.63777
    D4        2.37803   0.00006  -0.00707   0.00160  -0.00547   2.37256
    D5       -1.85336   0.00007  -0.00732   0.00285  -0.00447  -1.85783
    D6        0.25730   0.00015  -0.00776   0.00257  -0.00519   0.25210
    D7       -2.13101   0.00009  -0.00118   0.00280   0.00162  -2.12939
    D8        1.10712   0.00011   0.00104   0.00247   0.00351   1.11064
    D9        0.91220   0.00000  -0.00357   0.00350   0.00002   0.91222
   D10       -1.24375   0.00000  -0.00436   0.00255  -0.00173  -1.24548
   D11        2.97822  -0.00012  -0.00241  -0.00030  -0.00263   2.97560
   D12       -2.65213   0.00000   0.00977  -0.01031  -0.00061  -2.65275
   D13        1.47511   0.00001   0.00898  -0.01126  -0.00237   1.47274
   D14       -0.58611  -0.00011   0.01093  -0.01411  -0.00326  -0.58937
   D15        2.55440   0.00013   0.02297   0.00205   0.02508   2.57948
   D16       -1.61040   0.00005   0.02462   0.00118   0.02583  -1.58456
   D17        0.43134   0.00013   0.02545   0.00011   0.02563   0.45697
   D18       -0.15443   0.00008   0.00916   0.01617   0.02533  -0.12910
   D19        1.96396   0.00000   0.01081   0.01531   0.02608   1.99004
   D20       -2.27749   0.00007   0.01164   0.01423   0.02588  -2.25161
   D21        0.09446  -0.00021  -0.02182   0.00912  -0.01267   0.08179
   D22       -3.12665  -0.00013  -0.02443   0.01060  -0.01374  -3.14039
   D23        2.80605  -0.00007  -0.00886  -0.00501  -0.01388   2.79217
   D24       -0.41506   0.00002  -0.01147  -0.00353  -0.01495  -0.43001
   D25       -0.91322  -0.00059   0.02736   0.01325   0.04062  -0.87260
   D26       -3.09718  -0.00025   0.02511   0.01355   0.03867  -3.05851
   D27        1.13631  -0.00022   0.02447   0.01452   0.03899   1.17530
   D28        2.31786  -0.00041   0.00320  -0.00613  -0.00292   2.31493
   D29        0.13389  -0.00007   0.00096  -0.00582  -0.00487   0.12902
   D30       -1.91580  -0.00004   0.00031  -0.00486  -0.00455  -1.92035
   D31        0.12880   0.00021  -0.01884  -0.00236  -0.02121   0.10760
   D32       -3.05944   0.00026  -0.01187  -0.01055  -0.02241  -3.08185
   D33       -3.10363   0.00004   0.00568   0.01733   0.02301  -3.08062
   D34       -0.00870   0.00009   0.01265   0.00915   0.02181   0.01312
   D35       -1.75623  -0.00030  -0.00785   0.00913   0.00128  -1.75495
   D36        2.38283   0.00040  -0.00803   0.01026   0.00223   2.38507
   D37        0.30133   0.00009  -0.00659   0.00949   0.00289   0.30422
   D38        1.05157  -0.00039  -0.01479  -0.00285  -0.01764   1.03393
   D39       -1.09255   0.00031  -0.01497  -0.00172  -0.01669  -1.10924
   D40        3.10913   0.00000  -0.01353  -0.00250  -0.01603   3.09310
   D41       -0.13917   0.00010  -0.00826  -0.00463  -0.01288  -0.15205
   D42        3.06925  -0.00010  -0.00721  -0.01265  -0.01985   3.04939
   D43       -2.94011   0.00019  -0.00126   0.00736   0.00610  -2.93401
   D44        0.26831  -0.00001  -0.00021  -0.00066  -0.00088   0.26743
   D45       -2.88803   0.00001   0.00427  -0.01320  -0.00886  -2.89688
   D46        0.33155  -0.00007   0.00678  -0.01467  -0.00788   0.32368
   D47       -0.24084   0.00007  -0.02854   0.02208  -0.00653  -0.24737
   D48        2.97874  -0.00001  -0.02604   0.02062  -0.00555   2.97319
   D49        0.31059   0.00006  -0.00106   0.01788   0.01672   0.32731
   D50        2.44597   0.00002   0.00081   0.01636   0.01708   2.46305
   D51       -1.79631   0.00004  -0.00048   0.01827   0.01773  -1.77859
   D52       -2.32193  -0.00002   0.03331  -0.01859   0.01479  -2.30715
   D53       -0.18655  -0.00006   0.03519  -0.02011   0.01514  -0.17141
   D54        1.85436  -0.00004   0.03389  -0.01820   0.01579   1.87014
   D55       -0.89578  -0.00041   0.00141  -0.00560  -0.00419  -0.89997
   D56        1.23379   0.00015  -0.00155  -0.00221  -0.00376   1.23003
   D57       -3.02402   0.00002   0.00083  -0.00265  -0.00182  -3.02584
   D58        1.30577  -0.00044   0.00421  -0.00572  -0.00151   1.30425
   D59       -2.84785   0.00013   0.00125  -0.00233  -0.00108  -2.84893
   D60       -0.82247   0.00000   0.00363  -0.00278   0.00085  -0.82162
   D61       -2.96161  -0.00054   0.00386  -0.00629  -0.00243  -2.96404
   D62       -0.83204   0.00003   0.00090  -0.00290  -0.00200  -0.83404
   D63        1.19334  -0.00010   0.00328  -0.00335  -0.00006   1.19327
   D64       -1.07878   0.00032   0.00076   0.00397   0.00473  -1.07405
   D65        1.06249   0.00033   0.00101   0.00431   0.00532   1.06780
   D66        3.09858   0.00031   0.00117   0.00398   0.00516   3.10373
   D67        2.97040  -0.00024  -0.00109   0.00286   0.00178   2.97217
   D68       -1.17152  -0.00022  -0.00084   0.00320   0.00236  -1.16916
   D69        0.86457  -0.00025  -0.00068   0.00288   0.00220   0.86677
   D70        0.97195  -0.00004   0.00059   0.00293   0.00352   0.97547
   D71        3.11322  -0.00003   0.00084   0.00327   0.00411   3.11732
   D72       -1.13388  -0.00005   0.00100   0.00294   0.00394  -1.12993
   D73        3.04980  -0.00029   0.00319  -0.00602  -0.00282   3.04698
   D74        0.93554  -0.00026   0.00366  -0.00643  -0.00276   0.93277
   D75       -1.17066  -0.00026   0.00337  -0.00684  -0.00347  -1.17412
   D76       -1.07103   0.00022   0.00310  -0.00038   0.00272  -1.06831
   D77        3.09790   0.00025   0.00357  -0.00079   0.00277   3.10067
   D78        0.99171   0.00024   0.00328  -0.00121   0.00207   0.99378
   D79        0.98262  -0.00003   0.00270  -0.00176   0.00094   0.98356
   D80       -1.13165   0.00000   0.00318  -0.00217   0.00100  -1.13064
   D81        3.04535   0.00000   0.00288  -0.00259   0.00030   3.04565
   D82        1.71404   0.00006   0.01228  -0.00803   0.00425   1.71829
   D83       -1.38163   0.00001   0.00536   0.00001   0.00538  -1.37625
   D84       -0.49140   0.00002   0.01167  -0.00950   0.00217  -0.48923
   D85        2.69612  -0.00002   0.00475  -0.00145   0.00329   2.69941
   D86       -2.52569   0.00015   0.01080  -0.00678   0.00401  -2.52168
   D87        0.66183   0.00011   0.00388   0.00126   0.00514   0.66697
   D88        1.49348   0.00060  -0.07213   0.00054  -0.07159   1.42189
   D89       -2.64922   0.00011  -0.06033   0.00240  -0.05793  -2.70715
   D90       -0.55007   0.00010  -0.05867  -0.00023  -0.05891  -0.60898
   D91       -0.62437   0.00023  -0.06863  -0.00212  -0.07076  -0.69513
   D92        1.51611  -0.00026  -0.05683  -0.00027  -0.05710   1.45902
   D93       -2.66792  -0.00027  -0.05518  -0.00290  -0.05808  -2.72600
   D94       -2.68072   0.00026  -0.06956  -0.00283  -0.07238  -2.75311
   D95       -0.54024  -0.00023  -0.05776  -0.00097  -0.05872  -0.59896
   D96        1.55891  -0.00024  -0.05610  -0.00361  -0.05971   1.49921
   D97       -1.10500   0.00090   0.01253   0.01221   0.02476  -1.08024
   D98        1.06314   0.00076   0.01174   0.01082   0.02257   1.08571
   D99        3.11947   0.00073   0.01145   0.01135   0.02281  -3.14090
   D100       2.99601  -0.00055   0.00889   0.00751   0.01640   3.01241
   D101      -1.11903  -0.00070   0.00810   0.00612   0.01421  -1.10482
   D102       0.93730  -0.00072   0.00781   0.00665   0.01445   0.95175
   D103       0.88263   0.00003   0.00696   0.01030   0.01725   0.89989
   D104       3.05077  -0.00011   0.00616   0.00891   0.01507   3.06584
   D105      -1.17609  -0.00013   0.00588   0.00944   0.01531  -1.16078
   D106      -1.06629   0.00002   0.00410   0.00375   0.00785  -1.05844
   D107       3.12835   0.00002   0.00422   0.00349   0.00771   3.13607
   D108       1.04334   0.00002   0.00400   0.00327   0.00727   1.05061
   D109       1.06556   0.00000   0.00437   0.00424   0.00861   1.07417
   D110      -1.02298   0.00000   0.00449   0.00399   0.00847  -1.01451
   D111      -3.10799   0.00000   0.00426   0.00376   0.00803  -3.09996
   D112      -3.12950  -0.00001   0.00447   0.00505   0.00952  -3.11998
   D113       1.06514   0.00000   0.00459   0.00480   0.00939   1.07453
   D114      -1.01987  -0.00001   0.00436   0.00458   0.00894  -1.01093
   D115       0.90769   0.00000   0.00516   0.00252   0.00767   0.91536
   D116      -1.19732   0.00000   0.00466   0.00261   0.00727  -1.19005
   D117       2.99613   0.00000   0.00446   0.00273   0.00719   3.00332
   D118      -1.20183   0.00000   0.00499   0.00327   0.00826  -1.19356
   D119       2.97635   0.00000   0.00449   0.00336   0.00785   2.98421
   D120       0.88661   0.00000   0.00430   0.00348   0.00778   0.89439
   D121       3.00401   0.00000   0.00492   0.00247   0.00739   3.01139
   D122       0.89900   0.00000   0.00442   0.00256   0.00698   0.90598
   D123      -1.19074   0.00001   0.00423   0.00268   0.00691  -1.18383
   D124      -1.04610  -0.00004   0.00068   0.00362   0.00430  -1.04180
   D125       1.10468   0.00004  -0.00056   0.00322   0.00266   1.10733
   D126       3.13530  -0.00014   0.00114   0.00331   0.00445   3.13976
   D127       3.07299   0.00008   0.00259   0.00448   0.00707   3.08006
   D128      -1.05942   0.00017   0.00135   0.00408   0.00543  -1.05399
   D129       0.97121  -0.00001   0.00305   0.00417   0.00722   0.97843
   D130       1.02690   0.00009   0.00091   0.00443   0.00534   1.03224
   D131      -3.10551   0.00017  -0.00033   0.00403   0.00370  -3.10181
   D132      -1.07488  -0.00001   0.00137   0.00412   0.00549  -1.06939
   D133      -1.55306   0.00005   0.00139   0.00354   0.00493  -1.54813
   D134       1.59926   0.00009   0.00153   0.00408   0.00561   1.60487
   D135       2.58862  -0.00002   0.00053   0.00308   0.00361   2.59223
   D136      -0.54225   0.00002   0.00068   0.00362   0.00429  -0.53796
   D137       0.53215   0.00002   0.00064   0.00320   0.00383   0.53598
   D138      -2.59872   0.00006   0.00078   0.00374   0.00451  -2.59421
   D139       0.75737  -0.00014  -0.00402  -0.01183  -0.01585   0.74152
   D140       2.85445  -0.00011  -0.00334  -0.01184  -0.01518   2.83927
   D141      -1.37164  -0.00007  -0.00363  -0.01127  -0.01489  -1.38653
   D142      -1.34404  -0.00006  -0.00586  -0.00954  -0.01537  -1.35941
   D143       0.75305  -0.00003  -0.00517  -0.00955  -0.01471   0.73834
   D144       2.81014   0.00002  -0.00547  -0.00898  -0.01441   2.79573
   D145       2.88542  -0.00003  -0.00736  -0.00877  -0.01615   2.86928
   D146      -1.30068   0.00000  -0.00668  -0.00879  -0.01548  -1.31616
   D147       0.75642   0.00004  -0.00697  -0.00822  -0.01519   0.74123
   D148      -0.83308  -0.00001  -0.00103  -0.00436  -0.00531  -0.83839
   D149      -2.96916   0.00000  -0.00322  -0.00235  -0.00552  -2.97468
   D150       1.26203  -0.00001  -0.00250  -0.00300  -0.00548   1.25654
   D151      -2.92649   0.00000  -0.00150  -0.00493  -0.00638  -2.93287
   D152       1.22061   0.00001  -0.00369  -0.00292  -0.00658   1.21402
   D153      -0.83139   0.00000  -0.00296  -0.00358  -0.00655  -0.83794
   D154       1.28883   0.00002  -0.00291  -0.00347  -0.00634   1.28249
   D155      -0.84726   0.00004  -0.00510  -0.00145  -0.00655  -0.85380
   D156      -2.89925   0.00002  -0.00437  -0.00211  -0.00651  -2.90576
   D157      -1.24236  -0.00007  -0.00506  -0.00081  -0.00587  -1.24823
   D158       1.91476  -0.00009  -0.00543  -0.00138  -0.00681   1.90795
   D159       2.90029   0.00012  -0.00547  -0.00007  -0.00554   2.89475
   D160      -0.22578   0.00011  -0.00585  -0.00063  -0.00648  -0.23226
   D161       0.84354  -0.00007  -0.00511  -0.00080  -0.00591   0.83763
   D162      -2.28253  -0.00008  -0.00549  -0.00136  -0.00685  -2.28938
   D163      -3.13047   0.00002  -0.00036  -0.00011  -0.00047  -3.13094
   D164       0.00936   0.00002   0.00019  -0.00036  -0.00017   0.00920
   D165       0.00055  -0.00002  -0.00049  -0.00064  -0.00113  -0.00059
   D166       3.14038  -0.00002   0.00006  -0.00089  -0.00083   3.13955
   D167       3.13138  -0.00002   0.00070   0.00041   0.00111   3.13249
   D168      -0.01548   0.00002   0.00180   0.00054   0.00234  -0.01314
   D169       0.00044   0.00002   0.00084   0.00094   0.00178   0.00223
   D170       3.13677   0.00005   0.00194   0.00108   0.00302   3.13978
   D171      -3.12615   0.00000  -0.00053   0.00030  -0.00023  -3.12638
   D172       0.02150   0.00000  -0.00053   0.00050  -0.00003   0.02147
   D173       0.00010   0.00001  -0.00015   0.00086   0.00070   0.00081
   D174      -3.13543   0.00002  -0.00016   0.00106   0.00090  -3.13453
   D175       3.12451   0.00001   0.00026  -0.00017   0.00009   3.12460
   D176      -0.01884  -0.00002   0.00004  -0.00112  -0.00108  -0.01992
   D177      -0.00171  -0.00001  -0.00011  -0.00073  -0.00084  -0.00256
   D178       3.13813  -0.00004  -0.00033  -0.00168  -0.00201   3.13611
   D179       2.70730   0.00005  -0.00396   0.01428   0.01032   2.71762
   D180       0.66411  -0.00005  -0.00282   0.01296   0.01014   0.67425
   D181      -1.41760  -0.00010  -0.00287   0.01287   0.01000  -1.40760
   D182      -0.49827   0.00024  -0.00498   0.02192   0.01695  -0.48133
   D183      -2.54147   0.00015  -0.00384   0.02060   0.01677  -2.52470
   D184       1.66001   0.00009  -0.00390   0.02052   0.01662   1.67663
   D185      -0.00053   0.00001  -0.00011  -0.00008  -0.00019  -0.00072
   D186       3.14070  -0.00001   0.00047  -0.00067  -0.00020   3.14050
   D187      -3.14036   0.00001  -0.00067   0.00017  -0.00050  -3.14085
   D188       0.00087   0.00000  -0.00009  -0.00042  -0.00051   0.00036
   D189      -0.00146   0.00000  -0.00059  -0.00053  -0.00112  -0.00258
   D190       3.13806   0.00002  -0.00051  -0.00078  -0.00129   3.13677
   D191      -3.13783  -0.00004  -0.00168  -0.00066  -0.00234  -3.14017
   D192       0.00169  -0.00002  -0.00160  -0.00092  -0.00252  -0.00083
   D193       0.00164  -0.00001   0.00023  -0.00033  -0.00010   0.00154
   D194      -3.13809   0.00000   0.00042  -0.00014   0.00028  -3.13781
   D195       3.13716  -0.00001   0.00024  -0.00054  -0.00029   3.13686
   D196      -0.00258  -0.00001   0.00043  -0.00034   0.00009  -0.00249
   D197       0.00158   0.00000   0.00029   0.00009   0.00038   0.00197
   D198      -3.14051  -0.00001   0.00035  -0.00007   0.00028  -3.14022
   D199      -3.13826   0.00002   0.00052   0.00103   0.00155  -3.13671
   D200       0.00284   0.00002   0.00058   0.00088   0.00145   0.00429
   D201      -0.00049   0.00001   0.00037   0.00051   0.00087   0.00039
   D202       3.14127  -0.00002   0.00049   0.00009   0.00058  -3.14134
   D203       3.14147   0.00002  -0.00021   0.00110   0.00088  -3.14083
   D204       0.00005   0.00000  -0.00009   0.00068   0.00059   0.00063
   D205       0.00148  -0.00001  -0.00002  -0.00020  -0.00022   0.00126
   D206      -3.14028   0.00001  -0.00014   0.00022   0.00008  -3.14020
   D207      -3.13803  -0.00003  -0.00010   0.00005  -0.00004  -3.13808
   D208       0.00339   0.00000  -0.00022   0.00047   0.00026   0.00365
   D209      -0.00178   0.00000  -0.00005  -0.00032  -0.00037  -0.00215
   D210       3.14063   0.00001   0.00008   0.00014   0.00022   3.14086
   D211       3.13795  -0.00001  -0.00023  -0.00052  -0.00075   3.13720
   D212      -0.00282   0.00000  -0.00011  -0.00005  -0.00016  -0.00298
   D213       0.00017   0.00001  -0.00021   0.00044   0.00023   0.00040
   D214       3.14094   0.00000  -0.00034  -0.00002  -0.00036   3.14058
   D215      -3.14093   0.00002  -0.00027   0.00060   0.00033  -3.14060
   D216      -0.00015   0.00000  -0.00040   0.00014  -0.00027  -0.00042
   D217      -3.06329   0.00007   0.00242   0.00218   0.00460  -3.05869
   D218       0.06937   0.00010   0.00175   0.00351   0.00527   0.07464
   D219      -0.01845   0.00004   0.00014   0.00243   0.00256  -0.01589
   D220       3.11421   0.00008  -0.00053   0.00376   0.00323   3.11744
   D221       3.06699  -0.00004  -0.00293  -0.00222  -0.00515   3.06184
   D222      -0.06485  -0.00003  -0.00282  -0.00328  -0.00610  -0.07095
   D223       0.02585  -0.00003  -0.00060  -0.00256  -0.00316   0.02269
   D224      -3.10598  -0.00002  -0.00050  -0.00361  -0.00411  -3.11009
   D225      -0.00178  -0.00002   0.00033  -0.00057  -0.00024  -0.00202
   D226       3.14077   0.00000   0.00075   0.00040   0.00115  -3.14126
   D227      -3.13454  -0.00006   0.00099  -0.00189  -0.00089  -3.13543
   D228       0.00802  -0.00003   0.00141  -0.00091   0.00050   0.00852
   D229      -2.82767  -0.00003   0.00048  -0.00991  -0.00943  -2.83710
   D230       1.36502   0.00002   0.00106  -0.00966  -0.00861   1.35642
   D231      -0.72725   0.00003   0.00058  -0.00904  -0.00846  -0.73571
   D232       0.30484   0.00000  -0.00020  -0.00856  -0.00876   0.29608
   D233      -1.78565   0.00005   0.00038  -0.00831  -0.00794  -1.79359
   D234       2.40526   0.00006  -0.00010  -0.00769  -0.00779   2.39747
   D235      -0.01320   0.00000   0.00062   0.00083   0.00145  -0.01175
   D236       3.13564   0.00001   0.00125   0.00077   0.00202   3.13766
   D237       3.11879  -0.00001   0.00050   0.00186   0.00236   3.12115
   D238      -0.01556   0.00000   0.00113   0.00180   0.00293  -0.01263
   D239       2.81301   0.00000   0.00065   0.00389   0.00454   2.81755
   D240       0.71271   0.00000   0.00015   0.00358   0.00373   0.71645
   D241      -1.37624   0.00000   0.00071   0.00407   0.00478  -1.37146
   D242      -0.31868   0.00001   0.00077   0.00282   0.00359  -0.31509
   D243      -2.41898   0.00001   0.00027   0.00251   0.00279  -2.41620
   D244       1.77524   0.00001   0.00083   0.00300   0.00384   1.77908
   D245       0.01416  -0.00001  -0.00032  -0.00111  -0.00144   0.01273
   D246      -3.13322   0.00001  -0.00046  -0.00006  -0.00051  -3.13374
   D247      -3.12839  -0.00003  -0.00075  -0.00209  -0.00284  -3.13123
   D248       0.00741  -0.00001  -0.00088  -0.00104  -0.00192   0.00549
   D249      -0.00649   0.00002  -0.00016   0.00098   0.00082  -0.00566
   D250       3.14090   0.00000  -0.00003  -0.00008  -0.00011   3.14079
   D251       3.12782   0.00001  -0.00079   0.00105   0.00026   3.12808
   D252      -0.00798  -0.00001  -0.00066  -0.00001  -0.00067  -0.00865
         Item               Value     Threshold  Converged?
 Maximum Force            0.002563     0.000450     NO 
 RMS     Force            0.000257     0.000300     YES
 Maximum Displacement     0.367864     0.001800     NO 
 RMS     Displacement     0.083994     0.001200     NO 
 Predicted change in Energy=-3.034174D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.245986   -0.026425   -0.951066
      2          8           0       -2.665483    0.211404   -2.486359
      3          8           0       -3.563311   -2.134306    1.287984
      4          8           0        2.305230    2.259464    2.272452
      5          8           0        3.464419   -1.023173    1.572345
      6          7           0       -2.781832   -2.633596   -0.847509
      7          7           0       -3.207726    0.399501   -0.254752
      8          7           0        2.133723    1.061461    0.314667
      9          7           0       -1.815534   -3.615436    1.149149
     10          6           0       -2.794170    1.770113   -0.061700
     11          6           0       -3.749155   -1.715976   -1.417239
     12          6           0       -1.407087    2.112278   -0.630548
     13          6           0       -0.293241    1.172717   -0.193223
     14          6           0       -4.234110   -2.101824   -2.831414
     15          6           0        1.093620    1.883874   -0.259321
     16          6           0       -2.854120    2.174744    1.426627
     17          6           0       -3.171290   -0.269656   -1.448590
     18          6           0       -1.609960   -2.960794   -1.634023
     19          6           0       -0.353372   -3.234716   -0.811620
     20          6           0        1.406406    2.265054   -1.717910
     21          6           0       -2.735020   -2.742838    0.557607
     22          6           0       -5.332979   -1.146651   -3.257273
     23          6           0       -4.754011   -3.523512   -2.867414
     24          6           0       -0.677610   -4.090771    0.409021
     25          6           0       -4.231813    2.087738    1.981622
     26          6           0        2.677348    3.023870   -1.855743
     27          6           0        2.615254    1.262783    1.586304
     28          6           0       -5.091075    3.190349    1.896779
     29          6           0       -4.680118    0.916133    2.603694
     30          6           0        2.761014    4.348110   -1.407686
     31          6           0        3.797379    2.430679   -2.449431
     32          6           0        3.628401    0.272133    2.158789
     33          6           0       -6.378755    3.122498    2.425001
     34          6           0       -5.970023    0.850867    3.129543
     35          6           0       -6.820732    1.952362    3.042243
     36          6           0        3.946057    5.066393   -1.552657
     37          6           0        4.981504    3.151968   -2.595361
     38          6           0        5.058071    4.470272   -2.147845
     39          6           0        4.656805   -1.644247    1.208536
     40          6           0        4.807228   -2.013832   -0.141418
     41          6           0        5.616595   -1.995471    2.175834
     42          6           0        5.950481   -2.728735   -0.514293
     43          6           0        6.750783   -2.703376    1.764583
     44          6           0        3.780249   -1.668371   -1.150004
     45          6           0        5.439014   -1.640913    3.602243
     46          6           0        6.917854   -3.064104    0.429581
     47          1           0       -3.529692    2.429643   -0.623131
     48          1           0       -4.659349   -1.730470   -0.739164
     49          1           0       -1.481279    2.103945   -1.753349
     50          1           0       -1.159154    3.157638   -0.309363
     51          1           0       -0.471900    0.828704    0.867031
     52          1           0       -3.370547   -1.997323   -3.546891
     53          1           0        1.023671    2.833204    0.353414
     54          1           0       -3.581759   -0.073242    0.542613
     55          1           0       -2.159017    1.529603    2.027749
     56          1           0       -2.483139    3.232003    1.504036
     57          1           0       -1.860216   -3.875122   -2.246491
     58          1           0       -1.393708   -2.108005   -2.344724
     59          1           0        0.388814   -3.773648   -1.452587
     60          1           0        0.106843   -2.260765   -0.492469
     61          1           0        1.437739    1.335497   -2.347254
     62          1           0        0.556937    2.898086   -2.092611
     63          1           0       -6.201298   -1.204040   -2.557540
     64          1           0       -5.687253   -1.413622   -4.282235
     65          1           0       -4.953252   -0.096076   -3.277812
     66          1           0       -5.519510   -3.681757   -2.069846
     67          1           0       -3.929779   -4.260807   -2.717394
     68          1           0       -5.228003   -3.727120   -3.858703
     69          1           0        0.221162   -4.131555    1.087254
     70          1           0       -0.900774   -5.144716    0.069498
     71          1           0        2.272075    0.169476   -0.106607
     72          1           0       -1.732535   -3.533084    2.136420
     73          1           0       -0.549225    0.167413   -1.850401
     74          1           0       -4.746121    4.115487    1.411324
     75          1           0       -4.019206    0.036134    2.679161
     76          1           0        1.886881    4.819227   -0.933875
     77          1           0        3.743958    1.389074   -2.800230
     78          1           0        3.425368    0.164924    3.259179
     79          1           0        4.657827    0.682976    1.995832
     80          1           0       -7.046131    3.993855    2.354591
     81          1           0       -6.314831   -0.075684    3.612470
     82          1           0       -7.836944    1.898774    3.458846
     83          1           0        4.004174    6.104835   -1.194720
     84          1           0        5.856508    2.678537   -3.064204
     85          1           0        5.992532    5.038285   -2.262361
     86          1           0        6.082970   -3.024811   -1.565997
     87          1           0        7.513266   -2.982816    2.507597
     88          1           0        3.897172   -2.290855   -2.071120
     89          1           0        3.875478   -0.590981   -1.442396
     90          1           0        2.752887   -1.835677   -0.736967
     91          1           0        6.095869   -2.266379    4.255409
     92          1           0        4.375383   -1.797627    3.913035
     93          1           0        5.699485   -0.565057    3.770400
     94          1           0        7.815735   -3.620201    0.121075
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0839229      0.0415928      0.0366181
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3250.4057812264 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247831207539     A.U. after   15 cycles
             Convg  =    0.4648D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000181792    0.000206588   -0.000645605
      2        8          -0.000313418   -0.000316978    0.000312902
      3        8          -0.000179874    0.000434202   -0.000534803
      4        8           0.000248915   -0.000045989    0.000165638
      5        8           0.000086707   -0.000021491    0.000038176
      6        7          -0.000474637   -0.000797633    0.001100821
      7        7          -0.000719881   -0.000566168   -0.000109705
      8        7           0.000089598   -0.000234119   -0.000351557
      9        7          -0.000819015   -0.000152177   -0.000034655
     10        6          -0.000210804    0.000284343    0.000340096
     11        6          -0.000181642    0.000348077    0.000237922
     12        6           0.000133192   -0.000320406    0.000144325
     13        6          -0.000287978   -0.000156263    0.000826092
     14        6           0.000218062   -0.000146570   -0.000194296
     15        6          -0.000043002    0.000166218   -0.000043942
     16        6           0.000016929    0.000039677   -0.000257401
     17        6           0.000996264    0.000170308   -0.000270684
     18        6          -0.000126147   -0.000113652   -0.000151891
     19        6          -0.000162682   -0.000079965    0.000115300
     20        6          -0.000224960   -0.000238055    0.000192367
     21        6           0.000835739    0.000495520   -0.000331104
     22        6          -0.000146170   -0.000005527    0.000028456
     23        6          -0.000050120   -0.000046526   -0.000055007
     24        6           0.000553696   -0.000045943    0.000168463
     25        6          -0.000253893   -0.000163154    0.000020815
     26        6           0.000051798   -0.000056415    0.000109499
     27        6          -0.000292957    0.000279216   -0.000181734
     28        6          -0.000062106   -0.000084486   -0.000000829
     29        6           0.000211637    0.000154916   -0.000045355
     30        6          -0.000082084    0.000035586   -0.000026248
     31        6          -0.000007015    0.000041863    0.000007149
     32        6          -0.000087079   -0.000093849   -0.000345204
     33        6          -0.000035218   -0.000026740    0.000010458
     34        6          -0.000079450    0.000054386   -0.000044759
     35        6           0.000054696    0.000018017    0.000030202
     36        6          -0.000026142   -0.000022205   -0.000068669
     37        6           0.000055502   -0.000039264    0.000051454
     38        6           0.000028125   -0.000054316   -0.000036930
     39        6           0.000227738    0.000302022   -0.000222777
     40        6           0.000268770   -0.000183431    0.000254255
     41        6          -0.000356054   -0.000068686    0.000171100
     42        6          -0.000316744    0.000008481   -0.000053894
     43        6           0.000217204   -0.000110800    0.000226103
     44        6          -0.000071196    0.000023004    0.000172283
     45        6           0.000141498    0.000013097   -0.000112347
     46        6           0.000193897    0.000026555   -0.000247888
     47        1           0.000099657    0.000214003   -0.000102172
     48        1          -0.000188360    0.000096395   -0.000014048
     49        1           0.000107390   -0.000015293   -0.000192326
     50        1           0.000087482   -0.000100955    0.000025428
     51        1           0.000176257    0.000100414    0.000287416
     52        1          -0.000037534    0.000144551    0.000005027
     53        1           0.000109195   -0.000019834   -0.000009356
     54        1           0.000237443    0.000498373   -0.000333739
     55        1          -0.000121651   -0.000005275    0.000063788
     56        1           0.000087484    0.000177078    0.000043159
     57        1           0.000059732   -0.000123042    0.000045119
     58        1           0.000146473    0.000123576   -0.000096600
     59        1           0.000003888    0.000006858    0.000053725
     60        1           0.000064168   -0.000025257    0.000011467
     61        1          -0.000046262    0.000086010   -0.000026182
     62        1           0.000091988   -0.000061278    0.000018063
     63        1           0.000017156   -0.000013776    0.000028058
     64        1           0.000019633   -0.000017120   -0.000030856
     65        1          -0.000057770    0.000054390    0.000074257
     66        1           0.000042816    0.000018173    0.000021456
     67        1          -0.000053567    0.000062165    0.000042056
     68        1           0.000032114    0.000036443   -0.000002899
     69        1          -0.000006312   -0.000042287   -0.000019211
     70        1           0.000028738    0.000003511   -0.000067796
     71        1          -0.000137212    0.000171206    0.000050924
     72        1           0.000195725    0.000149356   -0.000107171
     73        1           0.000165307   -0.000242350   -0.000603632
     74        1           0.000073215    0.000024685    0.000028270
     75        1          -0.000002907   -0.000147099    0.000201119
     76        1           0.000029368    0.000000164    0.000016308
     77        1          -0.000038243   -0.000021014   -0.000020721
     78        1          -0.000178621   -0.000116985    0.000110658
     79        1          -0.000029228    0.000010159    0.000051820
     80        1           0.000034463    0.000025458    0.000007655
     81        1          -0.000013583   -0.000064206   -0.000020167
     82        1           0.000000280   -0.000036479   -0.000005753
     83        1           0.000006282    0.000008212    0.000032107
     84        1          -0.000013809    0.000013548   -0.000024569
     85        1          -0.000015977    0.000020218    0.000021533
     86        1           0.000061179    0.000042308    0.000005319
     87        1          -0.000088040   -0.000010452   -0.000023852
     88        1          -0.000011485    0.000057958   -0.000016020
     89        1           0.000059043   -0.000003009   -0.000015573
     90        1           0.000073582   -0.000086311    0.000112949
     91        1          -0.000006794    0.000015709   -0.000013787
     92        1           0.000105547    0.000005350    0.000001596
     93        1           0.000085341    0.000034759    0.000024028
     94        1          -0.000091502    0.000039728    0.000006531
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001100821 RMS     0.000212777

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001225293 RMS     0.000167083
 Search for a local minimum.
 Step number  33 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
 DE= -3.36D-04 DEPred=-3.03D-04 R= 1.11D+00
 SS=  1.41D+00  RLast= 4.54D-01 DXNew= 1.2444D+00 1.3627D+00
 Trust test= 1.11D+00 RLast= 4.54D-01 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00125   0.00184   0.00211   0.00234   0.00249
     Eigenvalues ---    0.00263   0.00285   0.00321   0.00366   0.00415
     Eigenvalues ---    0.00435   0.00484   0.00522   0.00546   0.00555
     Eigenvalues ---    0.00620   0.00680   0.00703   0.00834   0.00963
     Eigenvalues ---    0.01309   0.01324   0.01388   0.01408   0.01442
     Eigenvalues ---    0.01463   0.01494   0.01546   0.01611   0.01721
     Eigenvalues ---    0.02008   0.02033   0.02079   0.02117   0.02128
     Eigenvalues ---    0.02147   0.02150   0.02151   0.02156   0.02160
     Eigenvalues ---    0.02171   0.02172   0.02172   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02181   0.02185   0.02187
     Eigenvalues ---    0.02188   0.02193   0.02285   0.02322   0.02453
     Eigenvalues ---    0.02672   0.02937   0.03104   0.03311   0.03527
     Eigenvalues ---    0.03802   0.03881   0.03987   0.04028   0.04233
     Eigenvalues ---    0.04381   0.04398   0.04553   0.04688   0.04719
     Eigenvalues ---    0.04817   0.05010   0.05023   0.05071   0.05187
     Eigenvalues ---    0.05335   0.05396   0.05436   0.05491   0.05560
     Eigenvalues ---    0.05599   0.05630   0.05654   0.05676   0.05927
     Eigenvalues ---    0.05979   0.06375   0.06796   0.06994   0.07117
     Eigenvalues ---    0.07135   0.07240   0.07369   0.07503   0.07522
     Eigenvalues ---    0.07784   0.08023   0.08270   0.08729   0.09228
     Eigenvalues ---    0.09377   0.09513   0.09719   0.10965   0.11593
     Eigenvalues ---    0.12147   0.12576   0.12864   0.12985   0.14073
     Eigenvalues ---    0.14365   0.15419   0.15864   0.15945   0.15981
     Eigenvalues ---    0.15992   0.15998   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16001   0.16001   0.16002
     Eigenvalues ---    0.16003   0.16009   0.16010   0.16014   0.16026
     Eigenvalues ---    0.16064   0.16175   0.16233   0.16476   0.16644
     Eigenvalues ---    0.17221   0.17702   0.19047   0.19186   0.19712
     Eigenvalues ---    0.20100   0.20413   0.21083   0.21240   0.21960
     Eigenvalues ---    0.21998   0.22000   0.22001   0.22007   0.22073
     Eigenvalues ---    0.22343   0.22534   0.22911   0.23189   0.23381
     Eigenvalues ---    0.23444   0.23522   0.23757   0.24002   0.24689
     Eigenvalues ---    0.24765   0.24849   0.24959   0.25034   0.25084
     Eigenvalues ---    0.25271   0.25806   0.25821   0.26267   0.26887
     Eigenvalues ---    0.26899   0.27871   0.27945   0.28252   0.28432
     Eigenvalues ---    0.28738   0.29080   0.29243   0.29825   0.30019
     Eigenvalues ---    0.30460   0.31023   0.31568   0.32173   0.32564
     Eigenvalues ---    0.33134   0.33692   0.34253   0.34437   0.34492
     Eigenvalues ---    0.34515   0.34597   0.34617   0.34662   0.34683
     Eigenvalues ---    0.34702   0.34712   0.34729   0.34741   0.34746
     Eigenvalues ---    0.34753   0.34760   0.34769   0.34781   0.34782
     Eigenvalues ---    0.34790   0.34802   0.34807   0.34818   0.34829
     Eigenvalues ---    0.34833   0.34847   0.34872   0.34911   0.34989
     Eigenvalues ---    0.35026   0.35452   0.35703   0.35879   0.35916
     Eigenvalues ---    0.35921   0.35942   0.35948   0.35969   0.35985
     Eigenvalues ---    0.35992   0.36003   0.36021   0.36030   0.36047
     Eigenvalues ---    0.36063   0.37156   0.37786   0.39065   0.40694
     Eigenvalues ---    0.40891   0.41030   0.42237   0.42283   0.42353
     Eigenvalues ---    0.43022   0.43288   0.43770   0.45026   0.45574
     Eigenvalues ---    0.45856   0.46080   0.46137   0.46189   0.46281
     Eigenvalues ---    0.46353   0.46488   0.46731   0.46765   0.46817
     Eigenvalues ---    0.46931   0.47187   0.47416   0.48202   0.50366
     Eigenvalues ---    0.51386   0.53314   0.56182   0.57474   0.59122
     Eigenvalues ---    0.61813   0.83313   0.89916   0.90981   0.94801
     Eigenvalues ---    1.043181000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    33   32   31   30   29
 RFO step:  Lambda=-2.44659606D-05.
 DIIS coeffs:      0.70487      0.43457      0.31771      0.26783     -0.72498
 Iteration  1 RMS(Cart)=  0.03044970 RMS(Int)=  0.00017352
 Iteration  2 RMS(Cart)=  0.00041049 RMS(Int)=  0.00005471
 Iteration  3 RMS(Cart)=  0.00000007 RMS(Int)=  0.00005471
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68215  -0.00115  -0.00027  -0.00167  -0.00194   2.68020
    R2        1.83053  -0.00043  -0.00005  -0.00036  -0.00041   1.83012
    R3        2.36346   0.00047   0.00003   0.00030   0.00033   2.36379
    R4        2.38273   0.00066  -0.00001   0.00043   0.00042   2.38315
    R5        2.36049  -0.00027  -0.00005  -0.00011  -0.00017   2.36032
    R6        2.70477   0.00049   0.00002   0.00026   0.00028   2.70505
    R7        2.63200   0.00045  -0.00001   0.00018   0.00016   2.63216
    R8        2.73999   0.00010  -0.00060  -0.00053  -0.00112   2.73887
    R9        2.73779   0.00011  -0.00062   0.00027  -0.00031   2.73747
   R10        2.66477   0.00123   0.00006   0.00103   0.00107   2.66583
   R11        2.72990   0.00000  -0.00001  -0.00010  -0.00011   2.72979
   R12        2.58716   0.00031   0.00011   0.00000   0.00011   2.58728
   R13        1.88895   0.00063   0.00035   0.00022   0.00057   1.88952
   R14        2.73040   0.00021   0.00025   0.00008   0.00034   2.73074
   R15        2.59757   0.00003  -0.00011   0.00034   0.00024   2.59781
   R16        1.88239   0.00001  -0.00003   0.00013   0.00010   1.88249
   R17        2.64346  -0.00020   0.00136  -0.00143  -0.00015   2.64331
   R18        2.71793   0.00045   0.00154  -0.00110   0.00040   2.71833
   R19        1.87871   0.00021   0.00057  -0.00042   0.00015   1.87886
   R20        2.90592   0.00066   0.00023   0.00063   0.00085   2.90677
   R21        2.91682  -0.00005   0.00029   0.00012   0.00041   2.91723
   R22        2.14729  -0.00014  -0.00021   0.00015  -0.00006   2.14724
   R23        2.91775  -0.00008  -0.00016   0.00030   0.00013   2.91788
   R24        2.94382   0.00036  -0.00016   0.00026   0.00010   2.94392
   R25        2.14503   0.00016   0.00001   0.00031   0.00033   2.14535
   R26        2.87504  -0.00006  -0.00019  -0.00069  -0.00087   2.87417
   R27        2.12647  -0.00019  -0.00016  -0.00010  -0.00027   2.12620
   R28        2.11903   0.00001   0.00007  -0.00002   0.00005   2.11908
   R29        2.94791   0.00010   0.00078  -0.00083  -0.00005   2.94786
   R30        2.13330  -0.00002   0.00014   0.00001   0.00015   2.13345
   R31        2.86668   0.00016   0.00030  -0.00016   0.00014   2.86681
   R32        2.86142   0.00005   0.00040  -0.00050  -0.00009   2.86132
   R33        2.12841  -0.00014  -0.00007   0.00002  -0.00004   2.12837
   R34        2.90957   0.00042   0.00055   0.00021   0.00075   2.91033
   R35        2.13929  -0.00003  -0.00008   0.00013   0.00005   2.13934
   R36        2.81158  -0.00020   0.00005  -0.00023  -0.00017   2.81141
   R37        2.12182  -0.00013  -0.00004  -0.00009  -0.00012   2.12170
   R38        2.12240  -0.00018  -0.00012  -0.00011  -0.00023   2.12217
   R39        2.88479   0.00000   0.00007  -0.00034  -0.00020   2.88459
   R40        2.13275   0.00001  -0.00006   0.00021   0.00014   2.13289
   R41        2.13724  -0.00019  -0.00016  -0.00002  -0.00018   2.13705
   R42        2.88326   0.00014   0.00018   0.00007   0.00028   2.88354
   R43        2.11457   0.00003   0.00012  -0.00002   0.00010   2.11468
   R44        2.12309   0.00000   0.00008  -0.00002   0.00006   2.12315
   R45        2.80934   0.00004  -0.00013   0.00013   0.00000   2.80934
   R46        2.12217  -0.00003   0.00004  -0.00002   0.00002   2.12218
   R47        2.12351  -0.00009  -0.00003  -0.00005  -0.00008   2.12343
   R48        2.11015  -0.00003   0.00001   0.00002   0.00003   2.11018
   R49        2.11052  -0.00003   0.00002  -0.00001   0.00000   2.11052
   R50        2.11136  -0.00006   0.00000  -0.00001  -0.00002   2.11134
   R51        2.11036   0.00000   0.00003   0.00005   0.00007   2.11044
   R52        2.10894  -0.00005   0.00004  -0.00002   0.00002   2.10896
   R53        2.11175  -0.00002  -0.00002   0.00009   0.00006   2.11181
   R54        2.12915   0.00002   0.00008  -0.00005   0.00003   2.12919
   R55        2.13454  -0.00004  -0.00002   0.00004   0.00002   2.13455
   R56        2.64648  -0.00007  -0.00005  -0.00001  -0.00006   2.64642
   R57        2.64603   0.00003   0.00003   0.00014   0.00017   2.64620
   R58        2.64654   0.00004   0.00002   0.00001   0.00003   2.64657
   R59        2.64481  -0.00002  -0.00005   0.00002  -0.00003   2.64479
   R60        2.88800   0.00027  -0.00008  -0.00001  -0.00009   2.88791
   R61        2.63327  -0.00001   0.00007  -0.00009  -0.00002   2.63325
   R62        2.07916  -0.00006  -0.00003   0.00000  -0.00003   2.07914
   R63        2.63522   0.00001  -0.00002   0.00007   0.00005   2.63527
   R64        2.08462   0.00005   0.00003   0.00015   0.00018   2.08480
   R65        2.63295   0.00004   0.00003   0.00003   0.00006   2.63301
   R66        2.07918  -0.00003  -0.00002   0.00002   0.00001   2.07918
   R67        2.63459   0.00005   0.00004   0.00002   0.00006   2.63465
   R68        2.07943  -0.00004  -0.00002   0.00000  -0.00001   2.07942
   R69        2.12422  -0.00020  -0.00020  -0.00006  -0.00025   2.12397
   R70        2.11706  -0.00003  -0.00001   0.00007   0.00005   2.11711
   R71        2.63585   0.00004  -0.00001   0.00006   0.00005   2.63589
   R72        2.07837  -0.00004   0.00000   0.00001   0.00001   2.07837
   R73        2.63522  -0.00001   0.00004  -0.00007  -0.00003   2.63519
   R74        2.07922  -0.00007  -0.00002  -0.00001  -0.00003   2.07919
   R75        2.07794  -0.00003   0.00002  -0.00001   0.00001   2.07795
   R76        2.63628   0.00004   0.00004   0.00001   0.00005   2.63632
   R77        2.07858  -0.00003  -0.00001   0.00002   0.00001   2.07859
   R78        2.63484   0.00004   0.00004   0.00002   0.00006   2.63489
   R79        2.07834  -0.00003  -0.00001   0.00003   0.00001   2.07835
   R80        2.07781  -0.00003   0.00000   0.00001   0.00001   2.07783
   R81        2.66015   0.00054   0.00011   0.00009   0.00020   2.66035
   R82        2.65923   0.00016  -0.00014   0.00030   0.00016   2.65938
   R83        2.64369  -0.00018  -0.00032   0.00012  -0.00020   2.64349
   R84        2.79735   0.00008   0.00009  -0.00009   0.00000   2.79735
   R85        2.64335   0.00012   0.00018   0.00000   0.00018   2.64353
   R86        2.79775   0.00015   0.00011  -0.00002   0.00009   2.79784
   R87        2.63153   0.00000   0.00014  -0.00011   0.00004   2.63156
   R88        2.07981  -0.00002  -0.00001   0.00006   0.00005   2.07986
   R89        2.63226  -0.00032  -0.00034   0.00008  -0.00027   2.63200
   R90        2.08002  -0.00007  -0.00004   0.00002  -0.00001   2.08000
   R91        2.11245  -0.00003   0.00006  -0.00004   0.00002   2.11247
   R92        2.11728  -0.00003  -0.00001   0.00005   0.00005   2.11732
   R93        2.11621  -0.00012  -0.00010   0.00002  -0.00008   2.11613
   R94        2.11218   0.00000   0.00004   0.00007   0.00010   2.11228
   R95        2.11486  -0.00005  -0.00002   0.00002   0.00000   2.11486
   R96        2.11581  -0.00007  -0.00005   0.00001  -0.00004   2.11577
   R97        2.07922  -0.00009  -0.00006  -0.00001  -0.00007   2.07916
    A1        1.89256  -0.00077  -0.00158  -0.00113  -0.00271   1.88985
    A2        1.99598   0.00038   0.00049   0.00034   0.00083   1.99681
    A3        2.05924  -0.00024   0.00061  -0.00133  -0.00057   2.05866
    A4        2.05185   0.00043  -0.00029  -0.00070  -0.00086   2.05098
    A5        2.09048  -0.00019  -0.00048  -0.00002  -0.00045   2.09002
    A6        2.18053   0.00019   0.00019   0.00096   0.00110   2.18163
    A7        2.03671  -0.00021  -0.00019  -0.00002  -0.00027   2.03644
    A8        2.06507   0.00001  -0.00003  -0.00043  -0.00051   2.06456
    A9        2.13687   0.00008   0.00068  -0.00070  -0.00003   2.13684
   A10        2.02825  -0.00017  -0.00022  -0.00062  -0.00085   2.02740
   A11        2.06433   0.00009   0.00036  -0.00034   0.00001   2.06433
   A12        2.10435   0.00023  -0.00283   0.00233  -0.00013   2.10423
   A13        2.00771  -0.00002  -0.00605   0.00486  -0.00039   2.00732
   A14        2.06275  -0.00017  -0.00553   0.00357  -0.00120   2.06155
   A15        2.00414   0.00032  -0.00013   0.00088   0.00075   2.00489
   A16        1.94600  -0.00030   0.00002  -0.00022  -0.00020   1.94580
   A17        1.87482  -0.00004   0.00011  -0.00065  -0.00054   1.87428
   A18        1.91070  -0.00001   0.00029  -0.00002   0.00027   1.91098
   A19        1.84622   0.00005   0.00005   0.00061   0.00066   1.84688
   A20        1.87457  -0.00001  -0.00038  -0.00066  -0.00104   1.87353
   A21        1.99466  -0.00024   0.00012  -0.00031  -0.00019   1.99446
   A22        1.92624   0.00000  -0.00152   0.00024  -0.00128   1.92496
   A23        1.86727   0.00024   0.00056  -0.00001   0.00056   1.86783
   A24        1.90720   0.00006   0.00064  -0.00032   0.00032   1.90752
   A25        1.86721  -0.00011   0.00036  -0.00044  -0.00007   1.86714
   A26        1.89793   0.00007  -0.00012   0.00089   0.00078   1.89870
   A27        2.00054  -0.00001   0.00071  -0.00118  -0.00048   2.00006
   A28        1.88387   0.00005  -0.00032   0.00071   0.00039   1.88426
   A29        1.87645   0.00010   0.00021   0.00074   0.00095   1.87740
   A30        1.90764   0.00002  -0.00048   0.00036  -0.00012   1.90752
   A31        1.90870  -0.00014  -0.00014  -0.00059  -0.00072   1.90797
   A32        1.88313  -0.00003   0.00000   0.00003   0.00003   1.88316
   A33        1.97431   0.00017  -0.00013   0.00006  -0.00008   1.97422
   A34        1.91021  -0.00026   0.00088  -0.00059   0.00028   1.91049
   A35        1.82274  -0.00012  -0.00108  -0.00164  -0.00271   1.82003
   A36        1.93602   0.00011  -0.00016   0.00034   0.00017   1.93619
   A37        1.92016  -0.00004   0.00016   0.00080   0.00096   1.92112
   A38        1.89591   0.00013   0.00031   0.00099   0.00130   1.89721
   A39        1.90423   0.00017   0.00043  -0.00008   0.00035   1.90458
   A40        1.94363  -0.00007  -0.00015  -0.00002  -0.00017   1.94345
   A41        1.89423   0.00000   0.00019  -0.00005   0.00014   1.89437
   A42        1.91325  -0.00012  -0.00020  -0.00030  -0.00050   1.91275
   A43        1.89510  -0.00002  -0.00013   0.00033   0.00021   1.89530
   A44        1.91268   0.00005  -0.00014   0.00014   0.00000   1.91268
   A45        1.94299   0.00001  -0.00012  -0.00028  -0.00039   1.94260
   A46        1.95090   0.00017   0.00020   0.00039   0.00059   1.95149
   A47        1.88260  -0.00012  -0.00013  -0.00019  -0.00032   1.88228
   A48        1.91093  -0.00024   0.00015  -0.00085  -0.00070   1.91023
   A49        1.88013   0.00015   0.00031   0.00055   0.00086   1.88100
   A50        1.89409   0.00003  -0.00043   0.00042  -0.00001   1.89408
   A51        1.96094  -0.00034  -0.00036  -0.00009  -0.00045   1.96049
   A52        1.91937  -0.00001   0.00007   0.00009   0.00015   1.91952
   A53        1.87591   0.00024   0.00035   0.00005   0.00040   1.87631
   A54        1.91765   0.00014   0.00000   0.00001   0.00002   1.91767
   A55        1.91261   0.00002   0.00003  -0.00011  -0.00008   1.91253
   A56        1.87495  -0.00005  -0.00007   0.00006  -0.00001   1.87494
   A57        2.14876  -0.00017   0.00033   0.00022   0.00053   2.14929
   A58        2.12214  -0.00042  -0.00018  -0.00011  -0.00031   2.12183
   A59        2.01127   0.00061   0.00007   0.00003   0.00008   2.01135
   A60        1.99751   0.00020  -0.00109   0.00205   0.00100   1.99850
   A61        1.87362   0.00005   0.00066  -0.00028   0.00038   1.87400
   A62        1.90235  -0.00006  -0.00008  -0.00040  -0.00049   1.90186
   A63        1.90658  -0.00016   0.00024  -0.00047  -0.00025   1.90634
   A64        1.89277  -0.00008   0.00017  -0.00086  -0.00069   1.89209
   A65        1.88836   0.00004   0.00016  -0.00014   0.00002   1.88838
   A66        1.93558   0.00006  -0.00029   0.00113   0.00086   1.93644
   A67        1.90054  -0.00004  -0.00010  -0.00022  -0.00032   1.90022
   A68        1.91205   0.00003  -0.00010   0.00020   0.00008   1.91213
   A69        1.90603   0.00000   0.00026  -0.00030  -0.00005   1.90598
   A70        1.92429  -0.00004   0.00034  -0.00088  -0.00054   1.92375
   A71        1.88446   0.00000  -0.00010   0.00003  -0.00007   1.88439
   A72        1.96912   0.00015   0.00013   0.00028   0.00041   1.96953
   A73        1.90884  -0.00011   0.00012  -0.00030  -0.00018   1.90866
   A74        1.87736   0.00002  -0.00006  -0.00001  -0.00007   1.87729
   A75        1.92483   0.00003  -0.00026   0.00044   0.00018   1.92502
   A76        1.90478  -0.00009  -0.00013  -0.00034  -0.00047   1.90431
   A77        1.87604   0.00000   0.00022  -0.00011   0.00011   1.87615
   A78        2.11531   0.00040  -0.00027   0.00023   0.00004   2.11535
   A79        2.08048  -0.00020  -0.00023   0.00034   0.00020   2.08068
   A80        2.08463  -0.00019   0.00033  -0.00021  -0.00009   2.08454
   A81        1.93372  -0.00003  -0.00004  -0.00003  -0.00007   1.93365
   A82        1.91442  -0.00004  -0.00015  -0.00004  -0.00019   1.91423
   A83        1.92947   0.00013   0.00032   0.00006   0.00039   1.92985
   A84        1.89245   0.00001  -0.00001  -0.00007  -0.00009   1.89236
   A85        1.90089  -0.00003   0.00002   0.00007   0.00009   1.90098
   A86        1.89200  -0.00005  -0.00015   0.00002  -0.00013   1.89187
   A87        1.92988   0.00003   0.00013  -0.00003   0.00010   1.92999
   A88        1.94283   0.00009   0.00004   0.00027   0.00032   1.94315
   A89        1.91537   0.00004   0.00008   0.00001   0.00009   1.91546
   A90        1.89298  -0.00007  -0.00011  -0.00012  -0.00023   1.89275
   A91        1.89332  -0.00004  -0.00011   0.00002  -0.00009   1.89324
   A92        1.88824  -0.00007  -0.00005  -0.00017  -0.00022   1.88802
   A93        1.97621  -0.00008   0.00176  -0.00159   0.00005   1.97626
   A94        1.91062   0.00004   0.00039  -0.00038   0.00006   1.91068
   A95        1.88256   0.00000  -0.00159   0.00136  -0.00020   1.88236
   A96        1.90962   0.00002  -0.00039   0.00008  -0.00027   1.90935
   A97        1.90184   0.00003  -0.00020   0.00042   0.00024   1.90208
   A98        1.88049  -0.00002  -0.00007   0.00021   0.00013   1.88062
   A99        2.09382   0.00010   0.00005   0.00005   0.00009   2.09391
   A100       2.10729  -0.00025  -0.00016  -0.00019  -0.00034   2.10694
   A101       2.08203   0.00015   0.00012   0.00013   0.00025   2.08227
   A102       2.09907  -0.00008  -0.00016  -0.00009  -0.00024   2.09883
   A103       2.10267   0.00008   0.00008   0.00015   0.00023   2.10290
   A104       2.08135   0.00001   0.00007  -0.00007   0.00001   2.08136
   A105       2.13896  -0.00015   0.00031  -0.00035  -0.00004   2.13893
   A106       2.06688  -0.00045  -0.00012  -0.00067  -0.00079   2.06610
   A107       2.07584   0.00059  -0.00033   0.00085   0.00052   2.07635
   A108       2.10097  -0.00008  -0.00005  -0.00010  -0.00015   2.10081
   A109       2.09022  -0.00002  -0.00005  -0.00010  -0.00015   2.09007
   A110       2.09200   0.00010   0.00010   0.00020   0.00030   2.09230
   A111       2.09768  -0.00010  -0.00008  -0.00012  -0.00020   2.09748
   A112       2.10140  -0.00011  -0.00013  -0.00012  -0.00025   2.10115
   A113       2.08409   0.00020   0.00021   0.00024   0.00045   2.08454
   A114       2.10016   0.00000  -0.00004   0.00004   0.00000   2.10016
   A115       2.08885  -0.00001  -0.00003  -0.00005  -0.00008   2.08877
   A116       2.09416   0.00001   0.00006   0.00001   0.00008   2.09424
   A117       2.09997   0.00001  -0.00002   0.00004   0.00002   2.09999
   A118       2.09160  -0.00001   0.00000  -0.00006  -0.00006   2.09154
   A119       2.09161   0.00000   0.00002   0.00002   0.00004   2.09165
   A120       1.93606   0.00090  -0.00006   0.00107   0.00101   1.93707
   A121       1.86929  -0.00020  -0.00018  -0.00034  -0.00052   1.86877
   A122       1.95796  -0.00024   0.00020   0.00021   0.00041   1.95837
   A123       1.88471  -0.00044  -0.00042  -0.00076  -0.00118   1.88353
   A124       1.89332  -0.00014   0.00015  -0.00016  -0.00002   1.89330
   A125       1.92127   0.00011   0.00029  -0.00006   0.00023   1.92149
   A126       2.09602  -0.00001  -0.00003   0.00004   0.00001   2.09603
   A127       2.09196   0.00003   0.00007   0.00001   0.00008   2.09205
   A128       2.09520  -0.00002  -0.00004  -0.00005  -0.00009   2.09511
   A129       2.09869  -0.00002   0.00001  -0.00001  -0.00001   2.09868
   A130       2.08840   0.00000  -0.00003  -0.00001  -0.00004   2.08836
   A131       2.09609   0.00002   0.00002   0.00002   0.00005   2.09614
   A132       2.09098   0.00005   0.00005   0.00006   0.00010   2.09109
   A133       2.09599  -0.00005  -0.00006  -0.00007  -0.00013   2.09586
   A134       2.09621  -0.00001   0.00001   0.00001   0.00003   2.09624
   A135       2.09679  -0.00001  -0.00002   0.00001   0.00000   2.09678
   A136       2.09184   0.00000   0.00002  -0.00003  -0.00001   2.09183
   A137       2.09456   0.00000   0.00000   0.00001   0.00001   2.09457
   A138       2.09695  -0.00001  -0.00002   0.00001  -0.00001   2.09694
   A139       2.09168   0.00001   0.00001   0.00002   0.00003   2.09171
   A140       2.09456   0.00000   0.00001  -0.00003  -0.00002   2.09454
   A141       2.09115   0.00000   0.00002  -0.00004  -0.00001   2.09113
   A142       2.09570   0.00001  -0.00001   0.00004   0.00003   2.09573
   A143       2.09634   0.00000  -0.00002   0.00000  -0.00002   2.09632
   A144       2.04772   0.00022  -0.00046  -0.00019  -0.00065   2.04707
   A145       2.11257   0.00013   0.00078   0.00028   0.00106   2.11363
   A146       2.11857  -0.00035  -0.00031  -0.00005  -0.00036   2.11820
   A147       2.06814   0.00006   0.00015   0.00002   0.00017   2.06831
   A148       2.11530   0.00030   0.00029  -0.00013   0.00016   2.11546
   A149       2.09972  -0.00037  -0.00045   0.00011  -0.00034   2.09938
   A150       2.06832   0.00012   0.00015  -0.00007   0.00008   2.06840
   A151       2.11846   0.00041   0.00071   0.00028   0.00099   2.11945
   A152       2.09638  -0.00053  -0.00087  -0.00021  -0.00108   2.09530
   A153       2.10611   0.00011   0.00009   0.00003   0.00012   2.10623
   A154       2.08351  -0.00001   0.00016  -0.00014   0.00001   2.08352
   A155       2.09357  -0.00011  -0.00025   0.00011  -0.00013   2.09344
   A156       2.10608   0.00008   0.00004   0.00008   0.00012   2.10620
   A157       2.08484  -0.00009  -0.00027   0.00006  -0.00020   2.08463
   A158       2.09224   0.00001   0.00023  -0.00015   0.00008   2.09232
   A159       1.93789   0.00000  -0.00019   0.00019   0.00000   1.93789
   A160       1.92117  -0.00007  -0.00020  -0.00006  -0.00027   1.92091
   A161       1.92869   0.00006   0.00036  -0.00010   0.00026   1.92894
   A162       1.88761   0.00003   0.00004   0.00015   0.00019   1.88780
   A163       1.89302  -0.00008  -0.00032   0.00005  -0.00027   1.89275
   A164       1.89430   0.00005   0.00031  -0.00021   0.00010   1.89440
   A165       1.93748  -0.00001  -0.00022   0.00004  -0.00018   1.93730
   A166       1.92626   0.00004   0.00009   0.00006   0.00015   1.92641
   A167       1.92508   0.00004   0.00021   0.00007   0.00027   1.92535
   A168       1.89429  -0.00006  -0.00024  -0.00011  -0.00035   1.89394
   A169       1.88939  -0.00004  -0.00011  -0.00013  -0.00024   1.88915
   A170       1.89015   0.00003   0.00027   0.00007   0.00034   1.89049
   A171       2.09893  -0.00002  -0.00015   0.00000  -0.00016   2.09878
   A172       2.09274  -0.00004  -0.00018   0.00018   0.00000   2.09274
   A173       2.09150   0.00006   0.00033  -0.00018   0.00015   2.09166
    D1        0.55003   0.00021   0.01854   0.01218   0.03073   0.58076
    D2       -1.61828   0.00014   0.01820   0.01215   0.03036  -1.58792
    D3        2.63777   0.00017   0.01801   0.01213   0.03013   2.66790
    D4        2.37256   0.00027   0.00000   0.00089   0.00089   2.37344
    D5       -1.85783   0.00012  -0.00065   0.00036  -0.00029  -1.85812
    D6        0.25210  -0.00002  -0.00029   0.00019  -0.00010   0.25200
    D7       -2.12939  -0.00010  -0.00414   0.00235  -0.00179  -2.13118
    D8        1.11064  -0.00009  -0.00412   0.00188  -0.00224   1.10840
    D9        0.91222   0.00019   0.00035   0.00570   0.00607   0.91829
   D10       -1.24548   0.00029   0.00061   0.00616   0.00680  -1.23868
   D11        2.97560   0.00007   0.00125   0.00497   0.00624   2.98184
   D12       -2.65275   0.00015   0.00069   0.00069   0.00136  -2.65139
   D13        1.47274   0.00024   0.00096   0.00115   0.00208   1.47482
   D14       -0.58937   0.00002   0.00160  -0.00005   0.00153  -0.58784
   D15        2.57948   0.00012  -0.00389   0.00504   0.00118   2.58066
   D16       -1.58456   0.00009  -0.00382   0.00557   0.00178  -1.58279
   D17        0.45697   0.00013  -0.00332   0.00505   0.00175   0.45872
   D18       -0.12910   0.00002  -0.00425   0.01035   0.00611  -0.12299
   D19        1.99004  -0.00002  -0.00417   0.01088   0.00670   1.99675
   D20       -2.25161   0.00002  -0.00367   0.01036   0.00668  -2.24493
   D21        0.08179   0.00008  -0.00208   0.00056  -0.00151   0.08028
   D22       -3.14039   0.00011  -0.00507   0.00582   0.00078  -3.13961
   D23        2.79217   0.00003  -0.00148  -0.00488  -0.00635   2.78582
   D24       -0.43001   0.00005  -0.00447   0.00038  -0.00406  -0.43407
   D25       -0.87260  -0.00021  -0.00045   0.00545   0.00500  -0.86760
   D26       -3.05851  -0.00020  -0.00076   0.00496   0.00420  -3.05432
   D27        1.17530   0.00000  -0.00038   0.00628   0.00590   1.18121
   D28        2.31493  -0.00016   0.00367  -0.00782  -0.00414   2.31079
   D29        0.12902  -0.00015   0.00336  -0.00831  -0.00495   0.12407
   D30       -1.92035   0.00006   0.00374  -0.00699  -0.00324  -1.92359
   D31        0.10760  -0.00015  -0.00112  -0.00573  -0.00685   0.10075
   D32       -3.08185   0.00018   0.00328  -0.00235   0.00093  -3.08092
   D33       -3.08062  -0.00021  -0.00531   0.00775   0.00244  -3.07819
   D34        0.01312   0.00012  -0.00091   0.01113   0.01022   0.02334
   D35       -1.75495  -0.00016  -0.00637  -0.00194  -0.00830  -1.76325
   D36        2.38507   0.00002  -0.00663  -0.00092  -0.00755   2.37752
   D37        0.30422  -0.00005  -0.00614  -0.00154  -0.00768   0.29654
   D38        1.03393  -0.00017  -0.00380  -0.00727  -0.01107   1.02286
   D39       -1.10924   0.00001  -0.00407  -0.00625  -0.01031  -1.11956
   D40        3.09310  -0.00005  -0.00358  -0.00687  -0.01045   3.08265
   D41       -0.15205  -0.00007   0.00163  -0.00615  -0.00452  -0.15657
   D42        3.04939   0.00005   0.00413  -0.00283   0.00130   3.05070
   D43       -2.93401  -0.00001  -0.00088  -0.00066  -0.00153  -2.93555
   D44        0.26743   0.00011   0.00162   0.00267   0.00429   0.27172
   D45       -2.89688  -0.00002   0.00979  -0.00745   0.00241  -2.89448
   D46        0.32368  -0.00007   0.01273  -0.01259   0.00017   0.32385
   D47       -0.24737   0.00001  -0.01777   0.01626  -0.00155  -0.24892
   D48        2.97319  -0.00004  -0.01484   0.01112  -0.00379   2.96940
   D49        0.32731  -0.00001  -0.01132   0.01234   0.00094   0.32825
   D50        2.46305  -0.00001  -0.01030   0.01107   0.00067   2.46372
   D51       -1.77859   0.00000  -0.01106   0.01188   0.00075  -1.77784
   D52       -2.30715  -0.00009   0.01714  -0.01243   0.00479  -2.30236
   D53       -0.17141  -0.00009   0.01816  -0.01371   0.00452  -0.16689
   D54        1.87014  -0.00008   0.01740  -0.01290   0.00459   1.87473
   D55       -0.89997   0.00002   0.00012  -0.00157  -0.00145  -0.90142
   D56        1.23003   0.00008  -0.00026  -0.00138  -0.00164   1.22840
   D57       -3.02584   0.00012  -0.00032  -0.00059  -0.00091  -3.02675
   D58        1.30425  -0.00016   0.00029  -0.00121  -0.00092   1.30333
   D59       -2.84893  -0.00010  -0.00009  -0.00101  -0.00110  -2.85003
   D60       -0.82162  -0.00005  -0.00015  -0.00023  -0.00038  -0.82200
   D61       -2.96404  -0.00015   0.00001  -0.00167  -0.00166  -2.96570
   D62       -0.83404  -0.00009  -0.00037  -0.00147  -0.00184  -0.83588
   D63        1.19327  -0.00004  -0.00043  -0.00069  -0.00112   1.19216
   D64       -1.07405   0.00012  -0.00495  -0.00055  -0.00550  -1.07955
   D65        1.06780   0.00006  -0.00515  -0.00053  -0.00568   1.06212
   D66        3.10373   0.00013  -0.00500  -0.00039  -0.00539   3.09835
   D67        2.97217  -0.00006  -0.00502  -0.00152  -0.00654   2.96563
   D68       -1.16916  -0.00011  -0.00522  -0.00150  -0.00672  -1.17588
   D69        0.86677  -0.00004  -0.00508  -0.00135  -0.00643   0.86035
   D70        0.97547  -0.00010  -0.00503  -0.00187  -0.00690   0.96857
   D71        3.11732  -0.00016  -0.00523  -0.00185  -0.00708   3.11024
   D72       -1.12993  -0.00009  -0.00508  -0.00170  -0.00679  -1.13672
   D73        3.04698   0.00002   0.00158  -0.00168  -0.00010   3.04687
   D74        0.93277   0.00010   0.00164  -0.00123   0.00040   0.93318
   D75       -1.17412   0.00009   0.00178  -0.00136   0.00042  -1.17371
   D76       -1.06831  -0.00011   0.00016  -0.00184  -0.00168  -1.06999
   D77        3.10067  -0.00002   0.00022  -0.00140  -0.00118   3.09950
   D78        0.99378  -0.00003   0.00036  -0.00152  -0.00116   0.99262
   D79        0.98356  -0.00006   0.00056  -0.00120  -0.00063   0.98293
   D80       -1.13064   0.00003   0.00062  -0.00075  -0.00013  -1.13077
   D81        3.04565   0.00002   0.00076  -0.00087  -0.00011   3.04553
   D82        1.71829  -0.00015  -0.00105  -0.00038  -0.00143   1.71686
   D83       -1.37625  -0.00048  -0.00541  -0.00371  -0.00911  -1.38536
   D84       -0.48923   0.00011  -0.00058   0.00008  -0.00051  -0.48974
   D85        2.69941  -0.00022  -0.00494  -0.00325  -0.00818   2.69123
   D86       -2.52168   0.00018  -0.00130   0.00028  -0.00103  -2.52271
   D87        0.66697  -0.00016  -0.00566  -0.00305  -0.00871   0.65826
   D88        1.42189   0.00003  -0.00417  -0.00689  -0.01106   1.41083
   D89       -2.70715  -0.00010  -0.00325  -0.00737  -0.01062  -2.71777
   D90       -0.60898   0.00010  -0.00286  -0.00539  -0.00825  -0.61723
   D91       -0.69513  -0.00005  -0.00389  -0.00726  -0.01115  -0.70627
   D92        1.45902  -0.00018  -0.00296  -0.00774  -0.01071   1.44831
   D93       -2.72600   0.00003  -0.00257  -0.00577  -0.00834  -2.73434
   D94       -2.75311   0.00005  -0.00353  -0.00717  -0.01069  -2.76380
   D95       -0.59896  -0.00008  -0.00261  -0.00765  -0.01025  -0.60921
   D96        1.49921   0.00013  -0.00221  -0.00567  -0.00789   1.49132
   D97       -1.08024   0.00005   0.00076  -0.00293  -0.00217  -1.08241
   D98        1.08571   0.00010   0.00105  -0.00322  -0.00217   1.08354
   D99       -3.14090   0.00009   0.00080  -0.00288  -0.00208   3.14020
   D100       3.01241  -0.00006   0.00042  -0.00281  -0.00238   3.01003
   D101      -1.10482  -0.00001   0.00071  -0.00311  -0.00239  -1.10721
   D102       0.95175  -0.00002   0.00046  -0.00276  -0.00229   0.94946
   D103       0.89989  -0.00016   0.00012  -0.00465  -0.00453   0.89536
   D104       3.06584  -0.00011   0.00041  -0.00494  -0.00454   3.06130
   D105      -1.16078  -0.00011   0.00016  -0.00460  -0.00444  -1.16522
   D106      -1.05844   0.00003  -0.00201   0.00249   0.00048  -1.05796
   D107       3.13607   0.00005  -0.00187   0.00263   0.00076   3.13682
   D108       1.05061   0.00006  -0.00180   0.00260   0.00080   1.05141
   D109       1.07417  -0.00003  -0.00205   0.00222   0.00017   1.07434
   D110      -1.01451  -0.00001  -0.00191   0.00236   0.00045  -1.01406
   D111      -3.09996   0.00000  -0.00184   0.00232   0.00049  -3.09947
   D112      -3.11998  -0.00006  -0.00241   0.00241   0.00000  -3.11998
   D113       1.07453  -0.00003  -0.00227   0.00255   0.00027   1.07480
   D114      -1.01093  -0.00002  -0.00219   0.00251   0.00032  -1.01061
   D115       0.91536   0.00003  -0.00204   0.00051  -0.00153   0.91384
   D116      -1.19005   0.00003  -0.00202   0.00050  -0.00152  -1.19157
   D117       3.00332   0.00003  -0.00204   0.00052  -0.00151   3.00181
   D118      -1.19356  -0.00006  -0.00235   0.00083  -0.00151  -1.19508
   D119       2.98421  -0.00006  -0.00233   0.00082  -0.00151   2.98270
   D120       0.89439  -0.00006  -0.00234   0.00084  -0.00150   0.89289
   D121       3.01139   0.00001  -0.00199   0.00053  -0.00146   3.00993
   D122       0.90598   0.00001  -0.00197   0.00051  -0.00146   0.90452
   D123      -1.18383   0.00001  -0.00199   0.00054  -0.00145  -1.18528
   D124      -1.04180  -0.00002  -0.00108   0.00435   0.00327  -1.03853
   D125       1.10733   0.00004  -0.00124   0.00490   0.00365   1.11099
   D126       3.13976  -0.00001  -0.00095   0.00460   0.00365  -3.13978
   D127       3.08006   0.00002  -0.00118   0.00504   0.00386   3.08392
   D128      -1.05399   0.00008  -0.00134   0.00559   0.00425  -1.04974
   D129       0.97843   0.00004  -0.00105   0.00530   0.00425   0.98268
   D130       1.03224  -0.00004  -0.00140   0.00462   0.00322   1.03546
   D131      -3.10181   0.00002  -0.00156   0.00516   0.00361  -3.09820
   D132      -1.06939  -0.00003  -0.00126   0.00487   0.00361  -1.06578
   D133      -1.54813  -0.00014  -0.00299   0.00226  -0.00073  -1.54886
   D134       1.60487  -0.00015  -0.00331   0.00309  -0.00022   1.60465
   D135       2.59223   0.00001  -0.00283   0.00220  -0.00062   2.59161
   D136      -0.53796  -0.00001  -0.00315   0.00304  -0.00011  -0.53807
   D137       0.53598  -0.00003  -0.00276   0.00219  -0.00057   0.53540
   D138      -2.59421  -0.00004  -0.00308   0.00302  -0.00006  -2.59427
   D139       0.74152   0.00001   0.00459  -0.00924  -0.00464   0.73688
   D140       2.83927   0.00002   0.00467  -0.00904  -0.00437   2.83490
   D141      -1.38653   0.00001   0.00443  -0.00902  -0.00458  -1.39111
   D142      -1.35941  -0.00007   0.00430  -0.00992  -0.00561  -1.36502
   D143       0.73834  -0.00007   0.00438  -0.00973  -0.00534   0.73300
   D144       2.79573  -0.00007   0.00414  -0.00970  -0.00556   2.79017
   D145       2.86928   0.00002   0.00389  -0.00900  -0.00511   2.86417
   D146      -1.31616   0.00002   0.00396  -0.00881  -0.00484  -1.32100
   D147       0.74123   0.00001   0.00372  -0.00878  -0.00505   0.73618
   D148      -0.83839   0.00000   0.00254  -0.00134   0.00122  -0.83716
   D149      -2.97468  -0.00001   0.00110   0.00019   0.00131  -2.97337
   D150       1.25654  -0.00002   0.00152  -0.00035   0.00117   1.25772
   D151      -2.93287   0.00002   0.00268  -0.00158   0.00111  -2.93176
   D152       1.21402   0.00001   0.00124  -0.00005   0.00119   1.21522
   D153      -0.83794   0.00000   0.00166  -0.00059   0.00106  -0.83688
   D154       1.28249   0.00004   0.00244  -0.00092   0.00154   1.28403
   D155      -0.85380   0.00003   0.00100   0.00061   0.00163  -0.85218
   D156      -2.90576   0.00002   0.00143   0.00007   0.00149  -2.90427
   D157      -1.24823  -0.00003  -0.00227   0.00019  -0.00208  -1.25031
   D158       1.90795  -0.00002  -0.00214   0.00060  -0.00154   1.90641
   D159       2.89475  -0.00001  -0.00232   0.00005  -0.00227   2.89248
   D160      -0.23226   0.00000  -0.00219   0.00046  -0.00173  -0.23399
   D161       0.83763   0.00003  -0.00236   0.00013  -0.00223   0.83540
   D162      -2.28938   0.00004  -0.00223   0.00054  -0.00169  -2.29108
   D163      -3.13094   0.00001   0.00006   0.00050   0.00056  -3.13038
   D164       0.00920   0.00000   0.00008   0.00037   0.00045   0.00965
   D165      -0.00059   0.00003   0.00037  -0.00032   0.00005  -0.00054
   D166       3.13955   0.00001   0.00039  -0.00045  -0.00006   3.13949
   D167       3.13249  -0.00002  -0.00014  -0.00064  -0.00078   3.13171
   D168      -0.01314  -0.00009  -0.00079  -0.00067  -0.00146  -0.01460
   D169       0.00223  -0.00003  -0.00046   0.00019  -0.00027   0.00195
   D170       3.13978  -0.00010  -0.00110   0.00016  -0.00095   3.13883
   D171      -3.12638   0.00000   0.00000   0.00046   0.00046  -3.12592
   D172       0.02147   0.00001   0.00001   0.00071   0.00072   0.02219
   D173       0.00081   0.00000  -0.00012   0.00006  -0.00007   0.00074
   D174      -3.13453   0.00000  -0.00012   0.00031   0.00019  -3.13434
   D175       3.12460   0.00000   0.00006  -0.00049  -0.00043   3.12417
   D176      -0.01992   0.00001   0.00012  -0.00032  -0.00020  -0.02012
   D177      -0.00256   0.00001   0.00019  -0.00009   0.00010  -0.00245
   D178       3.13611   0.00001   0.00024   0.00009   0.00033   3.13644
   D179       2.71762  -0.00005  -0.00709  -0.00286  -0.00995   2.70767
   D180       0.67425  -0.00005  -0.00659  -0.00260  -0.00919   0.66506
   D181      -1.40760   0.00014  -0.00677  -0.00201  -0.00878  -1.41639
   D182      -0.48133  -0.00016  -0.00947  -0.00604  -0.01551  -0.49684
   D183      -2.52470  -0.00016  -0.00897  -0.00578  -0.01474  -2.53945
   D184       1.67663   0.00003  -0.00915  -0.00519  -0.01434   1.66229
   D185      -0.00072   0.00000  -0.00002   0.00021   0.00019  -0.00053
   D186       3.14050  -0.00001   0.00020  -0.00035  -0.00015   3.14035
   D187      -3.14085   0.00001  -0.00004   0.00034   0.00030  -3.14056
   D188       0.00036   0.00000   0.00018  -0.00022  -0.00004   0.00032
   D189      -0.00258   0.00001   0.00019   0.00007   0.00026  -0.00232
   D190       3.13677   0.00000   0.00019  -0.00002   0.00016   3.13693
   D191      -3.14017   0.00009   0.00083   0.00010   0.00093  -3.13924
   D192      -0.00083   0.00007   0.00083   0.00001   0.00083   0.00001
   D193       0.00154   0.00000  -0.00002   0.00004   0.00002   0.00156
   D194      -3.13781  -0.00001  -0.00009  -0.00003  -0.00012  -3.13793
   D195       3.13686   0.00000  -0.00002  -0.00022  -0.00024   3.13662
   D196      -0.00249  -0.00001  -0.00009  -0.00029  -0.00038  -0.00287
   D197       0.00197   0.00000  -0.00012   0.00003  -0.00009   0.00187
   D198      -3.14022   0.00000  -0.00014   0.00015   0.00000  -3.14022
   D199      -3.13671  -0.00001  -0.00017  -0.00014  -0.00032  -3.13702
   D200       0.00429  -0.00001  -0.00020  -0.00003  -0.00022   0.00407
   D201       0.00039  -0.00002  -0.00025   0.00005  -0.00020   0.00018
   D202      -3.14134   0.00000   0.00002  -0.00027  -0.00024  -3.14158
   D203      -3.14083  -0.00001  -0.00048   0.00061   0.00014  -3.14069
   D204       0.00063   0.00001  -0.00020   0.00029   0.00010   0.00073
   D205       0.00126   0.00001   0.00017  -0.00019  -0.00002   0.00124
   D206      -3.14020   0.00000  -0.00011   0.00013   0.00002  -3.14018
   D207      -3.13808   0.00003   0.00017  -0.00010   0.00008  -3.13800
   D208       0.00365   0.00001  -0.00011   0.00022   0.00012   0.00377
   D209      -0.00215   0.00000   0.00009  -0.00010   0.00000  -0.00215
   D210       3.14086  -0.00001  -0.00006  -0.00023  -0.00028   3.14057
   D211       3.13720   0.00001   0.00016  -0.00003   0.00013   3.13733
   D212      -0.00298   0.00000   0.00001  -0.00016  -0.00014  -0.00313
   D213       0.00040   0.00000  -0.00002   0.00006   0.00004   0.00044
   D214       3.14058   0.00001   0.00012   0.00020   0.00032   3.14090
   D215      -3.14060   0.00000   0.00000  -0.00006  -0.00005  -3.14065
   D216      -0.00042   0.00001   0.00015   0.00008   0.00022  -0.00019
   D217      -3.05869  -0.00006  -0.00138  -0.00028  -0.00166  -3.06035
   D218       0.07464  -0.00008  -0.00160  -0.00040  -0.00200   0.07263
   D219      -0.01589  -0.00005  -0.00134   0.00022  -0.00112  -0.01701
   D220       3.11744  -0.00006  -0.00156   0.00009  -0.00147   3.11597
   D221       3.06184   0.00007   0.00153   0.00013   0.00166   3.06350
   D222      -0.07095   0.00009   0.00238  -0.00002   0.00235  -0.06860
   D223       0.02269   0.00005   0.00155  -0.00035   0.00120   0.02390
   D224      -3.11009   0.00007   0.00240  -0.00051   0.00189  -3.10820
   D225      -0.00202   0.00001   0.00021   0.00006   0.00027  -0.00175
   D226      -3.14126  -0.00002  -0.00015  -0.00044  -0.00060   3.14132
   D227      -3.13543   0.00003   0.00043   0.00019   0.00061  -3.13482
   D228       0.00852  -0.00001   0.00006  -0.00032  -0.00026   0.00826
   D229      -2.83710   0.00002   0.00907  -0.00836   0.00071  -2.83639
   D230       1.35642   0.00002   0.00927  -0.00862   0.00065   1.35707
   D231      -0.73571  -0.00004   0.00879  -0.00825   0.00054  -0.73517
   D232       0.29608   0.00000   0.00885  -0.00849   0.00036   0.29644
   D233      -1.79359   0.00000   0.00905  -0.00875   0.00030  -1.79329
   D234       2.39747  -0.00005   0.00856  -0.00838   0.00019   2.39766
   D235      -0.01175  -0.00002  -0.00065   0.00021  -0.00044  -0.01219
   D236       3.13766  -0.00002  -0.00055   0.00002  -0.00053   3.13712
   D237       3.12115  -0.00004  -0.00148   0.00037  -0.00111   3.12004
   D238      -0.01263  -0.00004  -0.00138   0.00018  -0.00120  -0.01383
   D239       2.81755  -0.00001  -0.00221   0.00251   0.00030   2.81785
   D240       0.71645   0.00004  -0.00182   0.00258   0.00076   0.71720
   D241      -1.37146  -0.00004  -0.00235   0.00241   0.00006  -1.37140
   D242      -0.31509   0.00001  -0.00135   0.00234   0.00099  -0.31410
   D243      -2.41620   0.00006  -0.00096   0.00241   0.00145  -2.41475
   D244       1.77908  -0.00002  -0.00149   0.00225   0.00076   1.77984
   D245       0.01273   0.00002   0.00067  -0.00020   0.00047   0.01320
   D246      -3.13374  -0.00001   0.00020  -0.00051  -0.00031  -3.13405
   D247      -3.13123   0.00005   0.00104   0.00031   0.00135  -3.12989
   D248       0.00549   0.00002   0.00056  -0.00001   0.00056   0.00605
   D249      -0.00566  -0.00002  -0.00045   0.00006  -0.00039  -0.00605
   D250       3.14079   0.00002   0.00003   0.00038   0.00040   3.14120
   D251       3.12808  -0.00001  -0.00055   0.00025  -0.00030   3.12778
   D252      -0.00865   0.00002  -0.00007   0.00057   0.00049  -0.00815
         Item               Value     Threshold  Converged?
 Maximum Force            0.001225     0.000450     NO 
 RMS     Force            0.000167     0.000300     YES
 Maximum Displacement     0.228105     0.001800     NO 
 RMS     Displacement     0.030536     0.001200     NO 
 Predicted change in Energy=-4.274357D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.249650   -0.019977   -0.934126
      2          8           0       -2.660119    0.217230   -2.480005
      3          8           0       -3.544225   -2.150210    1.283540
      4          8           0        2.333426    2.298426    2.254553
      5          8           0        3.464541   -1.002049    1.600894
      6          7           0       -2.766736   -2.634974   -0.857534
      7          7           0       -3.205328    0.396405   -0.247832
      8          7           0        2.136320    1.075095    0.314910
      9          7           0       -1.792123   -3.625292    1.131314
     10          6           0       -2.796133    1.767333   -0.048295
     11          6           0       -3.738339   -1.717134   -1.418042
     12          6           0       -1.410099    2.117911   -0.615795
     13          6           0       -0.292981    1.181496   -0.181686
     14          6           0       -4.227304   -2.096288   -2.832725
     15          6           0        1.092823    1.893516   -0.259072
     16          6           0       -2.858005    2.164657    1.442146
     17          6           0       -3.162533   -0.269815   -1.443170
     18          6           0       -1.593502   -2.947725   -1.647582
     19          6           0       -0.334869   -3.225028   -0.829647
     20          6           0        1.397094    2.265714   -1.722194
     21          6           0       -2.716424   -2.752819    0.547332
     22          6           0       -5.330648   -1.142177   -3.249558
     23          6           0       -4.743683   -3.519044   -2.874636
     24          6           0       -0.653690   -4.091106    0.385526
     25          6           0       -4.237062    2.077654    1.993494
     26          6           0        2.668983    3.020411   -1.873255
     27          6           0        2.630550    1.290415    1.579497
     28          6           0       -5.093653    3.182639    1.913161
     29          6           0       -4.688878    0.903441    2.608271
     30          6           0        2.758063    4.347834   -1.435735
     31          6           0        3.784079    2.420513   -2.469454
     32          6           0        3.647805    0.305356    2.154207
     33          6           0       -6.382384    3.114630    2.438770
     34          6           0       -5.979787    0.838257    3.131723
     35          6           0       -6.827867    1.942111    3.048984
     36          6           0        3.943632    5.062611   -1.593481
     37          6           0        4.968756    3.138248   -2.628151
     38          6           0        5.050749    4.459755   -2.191070
     39          6           0        4.645383   -1.640539    1.229334
     40          6           0        4.765899   -2.043927   -0.114038
     41          6           0        5.622753   -1.974982    2.185026
     42          6           0        5.897214   -2.774334   -0.492837
     43          6           0        6.744419   -2.699275    1.767687
     44          6           0        3.720054   -1.717753   -1.109575
     45          6           0        5.477163   -1.587527    3.606546
     46          6           0        6.882174   -3.092617    0.438710
     47          1           0       -3.534842    2.426738   -0.605611
     48          1           0       -4.646320   -1.737625   -0.736871
     49          1           0       -1.483638    2.113497   -1.738519
     50          1           0       -1.165635    3.162868   -0.290569
     51          1           0       -0.465199    0.838991    0.880205
     52          1           0       -3.366628   -1.985654   -3.550716
     53          1           0        1.025981    2.846693    0.348063
     54          1           0       -3.574195   -0.082476    0.548656
     55          1           0       -2.165654    1.514989    2.041442
     56          1           0       -2.485103    3.220619    1.525984
     57          1           0       -1.839272   -3.856004   -2.270910
     58          1           0       -1.381475   -2.085566   -2.348023
     59          1           0        0.407250   -3.757171   -1.476431
     60          1           0        0.123802   -2.252514   -0.503855
     61          1           0        1.421434    1.332453   -2.346362
     62          1           0        0.547026    2.899168   -2.094692
     63          1           0       -6.196150   -1.205856   -2.546863
     64          1           0       -5.687997   -1.405236   -4.274466
     65          1           0       -4.954436   -0.090283   -3.266494
     66          1           0       -5.504812   -3.684166   -2.074229
     67          1           0       -3.917034   -4.255334   -2.733161
     68          1           0       -5.222119   -3.718078   -3.864755
     69          1           0        0.246634   -4.133186    1.061644
     70          1           0       -0.873708   -5.143474    0.039100
     71          1           0        2.266020    0.176875   -0.095864
     72          1           0       -1.705072   -3.546184    2.118580
     73          1           0       -0.532497    0.177902   -1.838975
     74          1           0       -4.745559    4.109584    1.433460
     75          1           0       -4.029950    0.021446    2.679047
     76          1           0        1.887862    4.824136   -0.959865
     77          1           0        3.726246    1.376505   -2.812298
     78          1           0        3.464093    0.224370    3.260085
     79          1           0        4.676645    0.705546    1.963246
     80          1           0       -7.047798    3.987792    2.372191
     81          1           0       -6.327432   -0.090126    3.609025
     82          1           0       -7.844868    1.888618    3.463688
     83          1           0        4.005990    6.103643   -1.243862
     84          1           0        5.839873    2.659543   -3.098890
     85          1           0        5.985541    5.025050   -2.315926
     86          1           0        6.005926   -3.097228   -1.539392
     87          1           0        7.520378   -2.965379    2.501578
     88          1           0        3.814418   -2.363822   -2.016951
     89          1           0        3.815221   -0.648541   -1.430688
     90          1           0        2.700533   -1.868625   -0.671644
     91          1           0        6.144605   -2.201938    4.259565
     92          1           0        4.419706   -1.731735    3.943372
     93          1           0        5.746745   -0.509738    3.745233
     94          1           0        7.770233   -3.661557    0.125353
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0837192      0.0416492      0.0366832
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3250.8411982428 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247865301155     A.U. after   13 cycles
             Convg  =    0.5733D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000053966    0.000198631    0.000196552
      2        8           0.000122284   -0.000083951    0.000017102
      3        8           0.000075212    0.000281769   -0.000106887
      4        8           0.000082939    0.000172507    0.000097461
      5        8          -0.000126220   -0.000153711    0.000003534
      6        7           0.000299959   -0.000150848    0.000733201
      7        7          -0.000420657   -0.000374948   -0.000149896
      8        7           0.000134668   -0.000051999   -0.000162316
      9        7          -0.000577817   -0.000177853    0.000003041
     10        6          -0.000182458    0.000064112    0.000239681
     11        6          -0.000519578    0.000131695    0.000210984
     12        6          -0.000169954    0.000003447    0.000046964
     13        6           0.000088354   -0.000107054    0.000040841
     14        6           0.000118544   -0.000135757   -0.000224905
     15        6          -0.000009141   -0.000031114   -0.000206184
     16        6           0.000077143   -0.000070578   -0.000093615
     17        6          -0.000141692   -0.000027259   -0.000126902
     18        6           0.000012886   -0.000157145    0.000015447
     19        6          -0.000016887    0.000030529    0.000045940
     20        6          -0.000079226   -0.000128965    0.000018303
     21        6           0.000421805    0.000200203   -0.000578435
     22        6          -0.000106678   -0.000037575   -0.000002099
     23        6           0.000018942    0.000036965    0.000013242
     24        6           0.000348338   -0.000035556    0.000211548
     25        6          -0.000141919   -0.000027553    0.000009811
     26        6           0.000046984   -0.000036795    0.000101181
     27        6          -0.000197382   -0.000288761   -0.000079250
     28        6          -0.000031458   -0.000054919    0.000008161
     29        6           0.000145051    0.000095780    0.000023782
     30        6          -0.000043401    0.000015611   -0.000048303
     31        6          -0.000004503    0.000031899    0.000027348
     32        6           0.000153266    0.000106100   -0.000175397
     33        6          -0.000032044    0.000002326   -0.000012433
     34        6          -0.000022246    0.000011468   -0.000002824
     35        6           0.000024799    0.000001109    0.000013436
     36        6          -0.000022770   -0.000003701   -0.000039121
     37        6           0.000033987   -0.000019454    0.000031870
     38        6           0.000010617   -0.000025293   -0.000009538
     39        6           0.000171676    0.000208194   -0.000403432
     40        6           0.000257745   -0.000143353    0.000217104
     41        6          -0.000441858   -0.000018180    0.000173432
     42        6          -0.000244250    0.000030098    0.000038992
     43        6           0.000163926   -0.000086927    0.000164883
     44        6          -0.000098420   -0.000058023    0.000125022
     45        6           0.000052798    0.000020563   -0.000099204
     46        6           0.000177868    0.000029495   -0.000164422
     47        1           0.000112072    0.000095442   -0.000030169
     48        1          -0.000164949   -0.000010851    0.000028651
     49        1           0.000044590    0.000058365   -0.000107655
     50        1           0.000020201   -0.000016000    0.000043800
     51        1           0.000028132    0.000051614    0.000031997
     52        1          -0.000035971    0.000132021   -0.000020276
     53        1           0.000071403   -0.000037506    0.000057562
     54        1           0.000196619    0.000263703   -0.000234946
     55        1          -0.000074906   -0.000012725    0.000055549
     56        1           0.000064931    0.000108991    0.000025858
     57        1          -0.000006297   -0.000068589   -0.000004215
     58        1           0.000082850    0.000005084    0.000000042
     59        1           0.000013938    0.000010442    0.000017817
     60        1           0.000072131   -0.000001897    0.000011716
     61        1          -0.000003801   -0.000031066   -0.000059917
     62        1           0.000064042   -0.000009565    0.000016675
     63        1           0.000020028   -0.000030130    0.000017921
     64        1           0.000007981   -0.000023039   -0.000026034
     65        1           0.000004995    0.000056911    0.000043622
     66        1           0.000034023   -0.000005332    0.000022342
     67        1          -0.000036310    0.000015304   -0.000001360
     68        1           0.000034375    0.000030937   -0.000016497
     69        1          -0.000020779   -0.000011406   -0.000011328
     70        1           0.000009292   -0.000027559   -0.000083035
     71        1          -0.000087294    0.000203920   -0.000023706
     72        1           0.000160918    0.000201948   -0.000101794
     73        1           0.000033962   -0.000029303   -0.000165388
     74        1           0.000046470    0.000030504    0.000025984
     75        1          -0.000056800   -0.000119333    0.000114513
     76        1           0.000025222   -0.000012593    0.000015170
     77        1          -0.000008490   -0.000001256   -0.000039494
     78        1          -0.000037963   -0.000058510    0.000013324
     79        1          -0.000017684    0.000048059    0.000118000
     80        1           0.000032845    0.000018061    0.000019292
     81        1          -0.000014596   -0.000050800   -0.000026417
     82        1           0.000007127   -0.000033687   -0.000001233
     83        1           0.000012852    0.000013634    0.000033406
     84        1          -0.000019137    0.000022384   -0.000026083
     85        1          -0.000011811    0.000031303    0.000015097
     86        1           0.000052753    0.000013942   -0.000018758
     87        1          -0.000067413   -0.000006339   -0.000018492
     88        1          -0.000015305    0.000024352   -0.000028406
     89        1           0.000086552   -0.000020863    0.000056878
     90        1          -0.000013391   -0.000031274    0.000077253
     91        1          -0.000020420    0.000010440   -0.000010871
     92        1           0.000052132   -0.000036180    0.000005821
     93        1           0.000042166    0.000044176    0.000037926
     94        1          -0.000076552    0.000009042    0.000006161
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000733201 RMS     0.000131094

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000875487 RMS     0.000111439
 Search for a local minimum.
 Step number  34 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   30   31   32   33
                                                     34
 DE= -3.41D-05 DEPred=-4.27D-05 R= 7.98D-01
 SS=  1.41D+00  RLast= 8.42D-02 DXNew= 2.0928D+00 2.5261D-01
 Trust test= 7.98D-01 RLast= 8.42D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00148   0.00184   0.00215   0.00236   0.00255
     Eigenvalues ---    0.00273   0.00293   0.00318   0.00367   0.00415
     Eigenvalues ---    0.00435   0.00485   0.00511   0.00545   0.00556
     Eigenvalues ---    0.00623   0.00666   0.00717   0.00829   0.00965
     Eigenvalues ---    0.01286   0.01315   0.01395   0.01421   0.01442
     Eigenvalues ---    0.01471   0.01494   0.01559   0.01609   0.01723
     Eigenvalues ---    0.02006   0.02044   0.02080   0.02116   0.02127
     Eigenvalues ---    0.02145   0.02151   0.02153   0.02156   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02186   0.02187
     Eigenvalues ---    0.02189   0.02191   0.02283   0.02316   0.02499
     Eigenvalues ---    0.02745   0.03085   0.03117   0.03450   0.03589
     Eigenvalues ---    0.03802   0.03894   0.03989   0.04035   0.04253
     Eigenvalues ---    0.04377   0.04403   0.04584   0.04685   0.04747
     Eigenvalues ---    0.04818   0.05000   0.05023   0.05069   0.05245
     Eigenvalues ---    0.05329   0.05400   0.05434   0.05491   0.05563
     Eigenvalues ---    0.05598   0.05634   0.05656   0.05676   0.05926
     Eigenvalues ---    0.05979   0.06453   0.06864   0.06999   0.07118
     Eigenvalues ---    0.07159   0.07236   0.07367   0.07471   0.07539
     Eigenvalues ---    0.07802   0.08014   0.08282   0.08717   0.09226
     Eigenvalues ---    0.09382   0.09517   0.09718   0.10970   0.11600
     Eigenvalues ---    0.12135   0.12574   0.12865   0.12990   0.14073
     Eigenvalues ---    0.14340   0.15396   0.15878   0.15937   0.15958
     Eigenvalues ---    0.15992   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16001   0.16003
     Eigenvalues ---    0.16003   0.16008   0.16012   0.16015   0.16024
     Eigenvalues ---    0.16056   0.16173   0.16231   0.16477   0.16652
     Eigenvalues ---    0.17376   0.17755   0.19061   0.19195   0.19633
     Eigenvalues ---    0.20100   0.20452   0.21060   0.21477   0.21923
     Eigenvalues ---    0.21991   0.22000   0.22000   0.22003   0.22072
     Eigenvalues ---    0.22337   0.22454   0.23060   0.23355   0.23396
     Eigenvalues ---    0.23473   0.23533   0.23752   0.23981   0.24700
     Eigenvalues ---    0.24724   0.24860   0.24963   0.25034   0.25095
     Eigenvalues ---    0.25266   0.25700   0.25908   0.26630   0.26899
     Eigenvalues ---    0.26934   0.27929   0.28216   0.28267   0.28518
     Eigenvalues ---    0.28733   0.29187   0.29327   0.29866   0.30018
     Eigenvalues ---    0.30545   0.31048   0.31550   0.32167   0.32615
     Eigenvalues ---    0.33199   0.33779   0.34293   0.34434   0.34494
     Eigenvalues ---    0.34516   0.34597   0.34621   0.34662   0.34685
     Eigenvalues ---    0.34704   0.34714   0.34728   0.34736   0.34741
     Eigenvalues ---    0.34749   0.34754   0.34767   0.34773   0.34786
     Eigenvalues ---    0.34790   0.34802   0.34813   0.34819   0.34831
     Eigenvalues ---    0.34832   0.34843   0.34872   0.34917   0.34987
     Eigenvalues ---    0.35031   0.35408   0.35703   0.35882   0.35906
     Eigenvalues ---    0.35920   0.35946   0.35966   0.35973   0.35987
     Eigenvalues ---    0.35992   0.36005   0.36025   0.36032   0.36045
     Eigenvalues ---    0.36063   0.37212   0.37780   0.38926   0.40709
     Eigenvalues ---    0.40905   0.41287   0.42239   0.42283   0.42353
     Eigenvalues ---    0.43001   0.43650   0.44247   0.45405   0.45693
     Eigenvalues ---    0.45948   0.46120   0.46169   0.46236   0.46319
     Eigenvalues ---    0.46388   0.46479   0.46741   0.46765   0.46833
     Eigenvalues ---    0.46932   0.47289   0.47507   0.48786   0.50404
     Eigenvalues ---    0.51655   0.52492   0.56215   0.57409   0.59351
     Eigenvalues ---    0.61591   0.86505   0.89494   0.91340   0.94872
     Eigenvalues ---    0.967471000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    34   33   32   31   30
 RFO step:  Lambda=-9.29437878D-06.
 DIIS coeffs:      1.04990      0.01677     -0.06699      0.02909     -0.02876
 Iteration  1 RMS(Cart)=  0.01608606 RMS(Int)=  0.00004985
 Iteration  2 RMS(Cart)=  0.00009577 RMS(Int)=  0.00000724
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000724
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68020   0.00005  -0.00025   0.00006  -0.00019   2.68001
    R2        1.83012  -0.00012   0.00006  -0.00024  -0.00019   1.82993
    R3        2.36379   0.00006   0.00002   0.00007   0.00008   2.36387
    R4        2.38315   0.00016   0.00002   0.00008   0.00010   2.38324
    R5        2.36032  -0.00013  -0.00003  -0.00013  -0.00016   2.36016
    R6        2.70505   0.00006   0.00000  -0.00021  -0.00021   2.70484
    R7        2.63216   0.00013   0.00000  -0.00020  -0.00020   2.63197
    R8        2.73887   0.00088  -0.00005   0.00000  -0.00004   2.73883
    R9        2.73747   0.00029   0.00001  -0.00037  -0.00037   2.73710
   R10        2.66583   0.00086  -0.00024   0.00110   0.00085   2.66668
   R11        2.72979  -0.00018  -0.00007  -0.00028  -0.00035   2.72944
   R12        2.58728   0.00007  -0.00007  -0.00012  -0.00019   2.58709
   R13        1.88952   0.00037  -0.00008   0.00057   0.00049   1.89001
   R14        2.73074  -0.00001   0.00002   0.00057   0.00059   2.73132
   R15        2.59781  -0.00017   0.00007   0.00014   0.00021   2.59803
   R16        1.88249  -0.00002   0.00003   0.00022   0.00024   1.88273
   R17        2.64331  -0.00015   0.00030  -0.00206  -0.00177   2.64153
   R18        2.71833   0.00027   0.00005  -0.00032  -0.00027   2.71806
   R19        1.87886   0.00022   0.00004  -0.00037  -0.00033   1.87853
   R20        2.90677   0.00010  -0.00005   0.00022   0.00017   2.90694
   R21        2.91723  -0.00018   0.00001   0.00042   0.00043   2.91766
   R22        2.14724  -0.00013   0.00006  -0.00030  -0.00024   2.14700
   R23        2.91788  -0.00021   0.00010  -0.00051  -0.00042   2.91746
   R24        2.94392   0.00039   0.00007  -0.00011  -0.00004   2.94388
   R25        2.14535   0.00004   0.00000   0.00007   0.00007   2.14542
   R26        2.87417   0.00014  -0.00015   0.00044   0.00029   2.87446
   R27        2.12620  -0.00013   0.00003  -0.00039  -0.00035   2.12585
   R28        2.11908  -0.00003  -0.00001  -0.00009  -0.00010   2.11898
   R29        2.94786   0.00029  -0.00009   0.00107   0.00098   2.94884
   R30        2.13345   0.00003  -0.00001   0.00022   0.00021   2.13366
   R31        2.86681   0.00007  -0.00002   0.00033   0.00031   2.86713
   R32        2.86132   0.00008  -0.00002   0.00039   0.00037   2.86169
   R33        2.12837  -0.00013   0.00002  -0.00023  -0.00021   2.12816
   R34        2.91033   0.00013  -0.00006   0.00063   0.00057   2.91090
   R35        2.13934  -0.00007   0.00001  -0.00014  -0.00013   2.13921
   R36        2.81141  -0.00011  -0.00001   0.00019   0.00018   2.81159
   R37        2.12170  -0.00008   0.00001  -0.00012  -0.00012   2.12158
   R38        2.12217  -0.00011   0.00003  -0.00025  -0.00022   2.12196
   R39        2.88459   0.00010  -0.00001  -0.00027  -0.00027   2.88431
   R40        2.13289  -0.00003  -0.00001  -0.00001  -0.00001   2.13288
   R41        2.13705  -0.00005   0.00007  -0.00005   0.00001   2.13707
   R42        2.88354   0.00002  -0.00005   0.00039   0.00035   2.88389
   R43        2.11468   0.00002  -0.00002   0.00010   0.00008   2.11476
   R44        2.12315  -0.00002  -0.00001   0.00001   0.00000   2.12315
   R45        2.80934  -0.00003   0.00002  -0.00009  -0.00006   2.80927
   R46        2.12218  -0.00006  -0.00001  -0.00011  -0.00012   2.12207
   R47        2.12343  -0.00006   0.00001  -0.00014  -0.00012   2.12331
   R48        2.11018  -0.00004   0.00001  -0.00005  -0.00004   2.11014
   R49        2.11052  -0.00002   0.00001  -0.00004  -0.00003   2.11049
   R50        2.11134  -0.00007   0.00001  -0.00011  -0.00010   2.11124
   R51        2.11044  -0.00002   0.00001   0.00000   0.00000   2.11044
   R52        2.10896  -0.00004   0.00000  -0.00003  -0.00003   2.10893
   R53        2.11181  -0.00003   0.00001  -0.00002  -0.00001   2.11179
   R54        2.12919  -0.00001  -0.00002  -0.00003  -0.00005   2.12914
   R55        2.13455  -0.00008   0.00001  -0.00014  -0.00013   2.13442
   R56        2.64642  -0.00006   0.00001  -0.00004  -0.00003   2.64640
   R57        2.64620  -0.00004  -0.00001   0.00007   0.00007   2.64627
   R58        2.64657   0.00002  -0.00001   0.00002   0.00001   2.64658
   R59        2.64479  -0.00003   0.00000  -0.00005  -0.00005   2.64474
   R60        2.88791   0.00004   0.00000  -0.00011  -0.00011   2.88780
   R61        2.63325  -0.00001  -0.00001   0.00002   0.00001   2.63326
   R62        2.07914  -0.00005   0.00001  -0.00010  -0.00009   2.07905
   R63        2.63527  -0.00003   0.00001  -0.00003  -0.00003   2.63524
   R64        2.08480  -0.00002   0.00002   0.00001   0.00003   2.08483
   R65        2.63301  -0.00001   0.00000   0.00000   0.00000   2.63301
   R66        2.07918  -0.00003   0.00001  -0.00006  -0.00005   2.07913
   R67        2.63465  -0.00001  -0.00001   0.00001   0.00000   2.63465
   R68        2.07942  -0.00004   0.00001  -0.00008  -0.00007   2.07935
   R69        2.12397  -0.00006   0.00004  -0.00019  -0.00016   2.12381
   R70        2.11711  -0.00007   0.00000  -0.00012  -0.00012   2.11699
   R71        2.63589   0.00001   0.00000   0.00000   0.00000   2.63589
   R72        2.07837  -0.00004   0.00001  -0.00006  -0.00006   2.07831
   R73        2.63519   0.00000   0.00000  -0.00001  -0.00002   2.63517
   R74        2.07919  -0.00006   0.00001  -0.00010  -0.00009   2.07910
   R75        2.07795  -0.00003   0.00000  -0.00005  -0.00004   2.07791
   R76        2.63632   0.00001  -0.00001   0.00003   0.00002   2.63635
   R77        2.07859  -0.00004   0.00001  -0.00007  -0.00006   2.07852
   R78        2.63489   0.00001   0.00000   0.00003   0.00003   2.63492
   R79        2.07835  -0.00004   0.00001  -0.00007  -0.00006   2.07829
   R80        2.07783  -0.00004   0.00001  -0.00006  -0.00006   2.07777
   R81        2.66035   0.00053  -0.00004   0.00037   0.00034   2.66069
   R82        2.65938  -0.00019   0.00007  -0.00048  -0.00041   2.65898
   R83        2.64349  -0.00010   0.00006  -0.00024  -0.00018   2.64331
   R84        2.79735   0.00015  -0.00002   0.00028   0.00026   2.79762
   R85        2.64353   0.00011  -0.00005   0.00009   0.00004   2.64357
   R86        2.79784   0.00009  -0.00002   0.00009   0.00007   2.79791
   R87        2.63156   0.00004  -0.00005   0.00005   0.00000   2.63157
   R88        2.07986  -0.00003   0.00001  -0.00005  -0.00005   2.07982
   R89        2.63200  -0.00020   0.00006  -0.00030  -0.00024   2.63176
   R90        2.08000  -0.00005   0.00001  -0.00009  -0.00008   2.07992
   R91        2.11247  -0.00003   0.00001  -0.00007  -0.00006   2.11242
   R92        2.11732  -0.00006   0.00000  -0.00008  -0.00008   2.11725
   R93        2.11613  -0.00003   0.00005  -0.00006  -0.00001   2.11612
   R94        2.11228  -0.00002   0.00000   0.00000   0.00000   2.11228
   R95        2.11486  -0.00006   0.00001  -0.00010  -0.00009   2.11477
   R96        2.11577  -0.00007   0.00001  -0.00013  -0.00012   2.11565
   R97        2.07916  -0.00006   0.00001  -0.00012  -0.00011   2.07905
    A1        1.88985  -0.00020   0.00012  -0.00147  -0.00134   1.88851
    A2        1.99681  -0.00005   0.00006  -0.00032  -0.00025   1.99656
    A3        2.05866  -0.00004  -0.00012  -0.00127  -0.00135   2.05731
    A4        2.05098   0.00026   0.00025  -0.00054  -0.00027   2.05071
    A5        2.09002  -0.00019   0.00003  -0.00025  -0.00023   2.08979
    A6        2.18163   0.00007   0.00030   0.00092   0.00116   2.18279
    A7        2.03644  -0.00014  -0.00002  -0.00019  -0.00028   2.03616
    A8        2.06456   0.00007  -0.00005  -0.00042  -0.00053   2.06402
    A9        2.13684   0.00027  -0.00004   0.00039   0.00035   2.13719
   A10        2.02740  -0.00017  -0.00018  -0.00106  -0.00126   2.02615
   A11        2.06433  -0.00011  -0.00022  -0.00078  -0.00101   2.06332
   A12        2.10423   0.00018  -0.00048   0.00102   0.00056   2.10478
   A13        2.00732  -0.00003  -0.00064   0.00194   0.00137   2.00869
   A14        2.06155  -0.00010  -0.00055   0.00153   0.00104   2.06259
   A15        2.00489   0.00019   0.00017   0.00055   0.00073   2.00561
   A16        1.94580  -0.00035   0.00008  -0.00038  -0.00030   1.94550
   A17        1.87428   0.00004  -0.00015  -0.00058  -0.00073   1.87355
   A18        1.91098   0.00014   0.00003   0.00000   0.00003   1.91101
   A19        1.84688  -0.00007  -0.00010   0.00058   0.00048   1.84735
   A20        1.87353   0.00006  -0.00006  -0.00019  -0.00025   1.87328
   A21        1.99446  -0.00032  -0.00006  -0.00120  -0.00125   1.99321
   A22        1.92496   0.00041   0.00025  -0.00028  -0.00003   1.92493
   A23        1.86783   0.00009  -0.00011   0.00135   0.00124   1.86907
   A24        1.90752  -0.00016  -0.00007  -0.00025  -0.00032   1.90721
   A25        1.86714   0.00002   0.00000   0.00030   0.00030   1.86743
   A26        1.89870  -0.00005  -0.00002   0.00019   0.00017   1.89887
   A27        2.00006   0.00010  -0.00003   0.00009   0.00006   2.00013
   A28        1.88426  -0.00004  -0.00012  -0.00002  -0.00014   1.88412
   A29        1.87740   0.00000   0.00020   0.00041   0.00061   1.87801
   A30        1.90752  -0.00005   0.00009  -0.00034  -0.00025   1.90727
   A31        1.90797  -0.00002  -0.00028  -0.00005  -0.00033   1.90764
   A32        1.88316   0.00001   0.00016  -0.00009   0.00007   1.88323
   A33        1.97422  -0.00018   0.00014  -0.00062  -0.00048   1.97374
   A34        1.91049   0.00009   0.00120   0.00076   0.00196   1.91245
   A35        1.82003  -0.00001  -0.00141  -0.00077  -0.00218   1.81785
   A36        1.93619   0.00011  -0.00018   0.00009  -0.00009   1.93610
   A37        1.92112   0.00002   0.00009   0.00016   0.00026   1.92138
   A38        1.89721  -0.00004   0.00011   0.00036   0.00047   1.89768
   A39        1.90458   0.00007   0.00001   0.00018   0.00019   1.90477
   A40        1.94345  -0.00009   0.00004  -0.00017  -0.00013   1.94332
   A41        1.89437   0.00002  -0.00006  -0.00036  -0.00043   1.89394
   A42        1.91275   0.00002  -0.00005   0.00031   0.00026   1.91300
   A43        1.89530  -0.00003   0.00005   0.00012   0.00016   1.89547
   A44        1.91268   0.00001   0.00002  -0.00007  -0.00005   1.91263
   A45        1.94260  -0.00002  -0.00028   0.00019  -0.00008   1.94251
   A46        1.95149  -0.00009  -0.00005  -0.00038  -0.00042   1.95107
   A47        1.88228   0.00003   0.00012   0.00002   0.00014   1.88242
   A48        1.91023   0.00007   0.00007  -0.00001   0.00007   1.91030
   A49        1.88100   0.00003   0.00026   0.00061   0.00087   1.88187
   A50        1.89408  -0.00001  -0.00012  -0.00042  -0.00054   1.89354
   A51        1.96049  -0.00035   0.00011  -0.00050  -0.00040   1.96009
   A52        1.91952   0.00000   0.00006  -0.00011  -0.00006   1.91947
   A53        1.87631   0.00021  -0.00009   0.00069   0.00060   1.87691
   A54        1.91767   0.00012  -0.00010  -0.00011  -0.00022   1.91745
   A55        1.91253   0.00009  -0.00002   0.00017   0.00015   1.91268
   A56        1.87494  -0.00005   0.00005  -0.00010  -0.00004   1.87490
   A57        2.14929  -0.00019   0.00020   0.00033   0.00053   2.14983
   A58        2.12183  -0.00021  -0.00003  -0.00028  -0.00031   2.12151
   A59        2.01135   0.00041  -0.00015   0.00006  -0.00009   2.01126
   A60        1.99850   0.00012   0.00002   0.00089   0.00088   1.99938
   A61        1.87400   0.00000   0.00003  -0.00047  -0.00043   1.87357
   A62        1.90186   0.00000  -0.00011  -0.00002  -0.00012   1.90174
   A63        1.90634  -0.00010   0.00006   0.00010   0.00017   1.90651
   A64        1.89209  -0.00002  -0.00008  -0.00034  -0.00041   1.89168
   A65        1.88838   0.00000   0.00009  -0.00022  -0.00013   1.88825
   A66        1.93644   0.00003   0.00011   0.00088   0.00098   1.93742
   A67        1.90022  -0.00002   0.00000  -0.00023  -0.00022   1.90000
   A68        1.91213   0.00004  -0.00012  -0.00017  -0.00029   1.91185
   A69        1.90598  -0.00002   0.00000  -0.00008  -0.00007   1.90590
   A70        1.92375  -0.00003  -0.00004  -0.00037  -0.00041   1.92334
   A71        1.88439   0.00000   0.00005  -0.00007  -0.00001   1.88438
   A72        1.96953   0.00004  -0.00002   0.00019   0.00017   1.96970
   A73        1.90866  -0.00002   0.00009  -0.00016  -0.00007   1.90858
   A74        1.87729   0.00002   0.00004   0.00028   0.00032   1.87760
   A75        1.92502  -0.00004  -0.00016  -0.00031  -0.00047   1.92454
   A76        1.90431   0.00000  -0.00003  -0.00006  -0.00009   1.90422
   A77        1.87615   0.00000   0.00009   0.00007   0.00017   1.87632
   A78        2.11535   0.00030   0.00004   0.00066   0.00071   2.11606
   A79        2.08068  -0.00019  -0.00007  -0.00028  -0.00034   2.08034
   A80        2.08454  -0.00012   0.00002  -0.00069  -0.00071   2.08383
   A81        1.93365  -0.00001   0.00000   0.00000   0.00000   1.93365
   A82        1.91423   0.00000   0.00002   0.00002   0.00003   1.91426
   A83        1.92985   0.00003  -0.00002   0.00009   0.00008   1.92993
   A84        1.89236   0.00001  -0.00001   0.00002   0.00001   1.89237
   A85        1.90098   0.00000  -0.00001  -0.00002  -0.00003   1.90095
   A86        1.89187  -0.00002   0.00002  -0.00011  -0.00009   1.89178
   A87        1.92999   0.00003  -0.00004   0.00018   0.00014   1.93013
   A88        1.94315   0.00000   0.00005   0.00008   0.00013   1.94328
   A89        1.91546   0.00005  -0.00003   0.00027   0.00024   1.91570
   A90        1.89275  -0.00003   0.00001  -0.00024  -0.00023   1.89252
   A91        1.89324  -0.00003   0.00000  -0.00008  -0.00007   1.89316
   A92        1.88802  -0.00003   0.00000  -0.00022  -0.00022   1.88780
   A93        1.97626  -0.00002   0.00017  -0.00084  -0.00068   1.97558
   A94        1.91068   0.00000   0.00008  -0.00041  -0.00032   1.91036
   A95        1.88236   0.00000  -0.00022   0.00080   0.00058   1.88294
   A96        1.90935   0.00002  -0.00001   0.00012   0.00011   1.90946
   A97        1.90208   0.00000  -0.00004   0.00022   0.00018   1.90226
   A98        1.88062  -0.00001   0.00001   0.00017   0.00018   1.88079
   A99        2.09391   0.00014  -0.00004   0.00019   0.00014   2.09405
   A100       2.10694  -0.00025   0.00007  -0.00040  -0.00033   2.10661
   A101       2.08227   0.00011  -0.00003   0.00022   0.00019   2.08246
   A102       2.09883  -0.00001  -0.00001  -0.00013  -0.00014   2.09869
   A103       2.10290  -0.00002   0.00000   0.00004   0.00003   2.10293
   A104       2.08136   0.00003   0.00001   0.00010   0.00011   2.08147
   A105       2.13893   0.00015   0.00001   0.00062   0.00063   2.13955
   A106       2.06610   0.00004   0.00009   0.00002   0.00012   2.06622
   A107       2.07635  -0.00019  -0.00010  -0.00058  -0.00067   2.07568
   A108       2.10081  -0.00006   0.00002  -0.00013  -0.00011   2.10070
   A109       2.09007   0.00000   0.00002  -0.00011  -0.00010   2.08998
   A110       2.09230   0.00007  -0.00004   0.00024   0.00020   2.09250
   A111       2.09748  -0.00005   0.00001  -0.00016  -0.00015   2.09733
   A112       2.10115  -0.00009   0.00007  -0.00026  -0.00018   2.10097
   A113       2.08454   0.00015  -0.00008   0.00042   0.00033   2.08488
   A114       2.10016  -0.00002  -0.00001  -0.00006  -0.00007   2.10009
   A115       2.08877   0.00001   0.00001   0.00000   0.00001   2.08879
   A116       2.09424   0.00001   0.00000   0.00006   0.00005   2.09429
   A117       2.09999  -0.00001  -0.00001  -0.00004  -0.00004   2.09995
   A118       2.09154  -0.00001   0.00001  -0.00001   0.00000   2.09154
   A119       2.09165   0.00001  -0.00001   0.00005   0.00005   2.09170
   A120       1.93707  -0.00001  -0.00004  -0.00085  -0.00089   1.93618
   A121       1.86877   0.00011  -0.00006   0.00073   0.00067   1.86944
   A122       1.95837  -0.00013   0.00005  -0.00062  -0.00057   1.95780
   A123       1.88353  -0.00011   0.00004   0.00006   0.00010   1.88363
   A124       1.89330   0.00011   0.00003   0.00027   0.00030   1.89360
   A125       1.92149   0.00003  -0.00003   0.00044   0.00041   1.92191
   A126       2.09603  -0.00002   0.00000  -0.00004  -0.00004   2.09599
   A127       2.09205   0.00002  -0.00001   0.00013   0.00011   2.09216
   A128       2.09511  -0.00001   0.00001  -0.00009  -0.00008   2.09503
   A129       2.09868  -0.00002   0.00001   0.00000   0.00001   2.09869
   A130       2.08836   0.00000  -0.00001  -0.00004  -0.00005   2.08831
   A131       2.09614   0.00001   0.00000   0.00004   0.00004   2.09618
   A132       2.09109   0.00004  -0.00002   0.00011   0.00010   2.09118
   A133       2.09586  -0.00003   0.00001  -0.00014  -0.00013   2.09573
   A134       2.09624   0.00000   0.00000   0.00003   0.00003   2.09627
   A135       2.09678  -0.00001   0.00001  -0.00002  -0.00001   2.09677
   A136       2.09183   0.00000  -0.00001   0.00000   0.00000   2.09183
   A137       2.09457   0.00000   0.00000   0.00002   0.00002   2.09459
   A138       2.09694  -0.00001   0.00000  -0.00003  -0.00003   2.09691
   A139       2.09171   0.00001   0.00000   0.00003   0.00003   2.09174
   A140       2.09454   0.00000   0.00000  -0.00001   0.00000   2.09453
   A141       2.09113   0.00001   0.00000   0.00004   0.00004   2.09118
   A142       2.09573   0.00000   0.00000  -0.00001  -0.00001   2.09572
   A143       2.09632  -0.00001   0.00000  -0.00004  -0.00004   2.09628
   A144       2.04707   0.00049   0.00002   0.00030   0.00032   2.04739
   A145       2.11363  -0.00029  -0.00005  -0.00008  -0.00013   2.11350
   A146       2.11820  -0.00020   0.00002  -0.00023  -0.00020   2.11800
   A147       2.06831  -0.00001  -0.00001   0.00004   0.00003   2.06834
   A148       2.11546   0.00036   0.00004   0.00026   0.00030   2.11576
   A149       2.09938  -0.00034  -0.00003  -0.00029  -0.00032   2.09907
   A150       2.06840   0.00013  -0.00002   0.00021   0.00019   2.06858
   A151       2.11945   0.00009  -0.00008   0.00027   0.00020   2.11965
   A152       2.09530  -0.00023   0.00010  -0.00048  -0.00039   2.09491
   A153       2.10623   0.00007   0.00000   0.00007   0.00007   2.10630
   A154       2.08352   0.00002  -0.00004   0.00013   0.00009   2.08361
   A155       2.09344  -0.00009   0.00005  -0.00020  -0.00016   2.09328
   A156       2.10620   0.00003   0.00001   0.00002   0.00002   2.10623
   A157       2.08463  -0.00006   0.00005  -0.00012  -0.00008   2.08456
   A158       2.09232   0.00003  -0.00005   0.00011   0.00006   2.09238
   A159       1.93789  -0.00001  -0.00002   0.00005   0.00003   1.93792
   A160       1.92091  -0.00006   0.00000  -0.00033  -0.00032   1.92059
   A161       1.92894   0.00012   0.00003   0.00040   0.00043   1.92937
   A162       1.88780  -0.00002  -0.00007   0.00000  -0.00007   1.88773
   A163       1.89275  -0.00006   0.00002  -0.00008  -0.00006   1.89269
   A164       1.89440   0.00003   0.00004  -0.00005  -0.00002   1.89438
   A165       1.93730   0.00002   0.00000   0.00008   0.00008   1.93739
   A166       1.92641   0.00000  -0.00001  -0.00005  -0.00006   1.92635
   A167       1.92535   0.00002   0.00001   0.00003   0.00005   1.92540
   A168       1.89394  -0.00002   0.00002  -0.00013  -0.00010   1.89384
   A169       1.88915  -0.00002   0.00000  -0.00005  -0.00006   1.88909
   A170       1.89049   0.00001  -0.00003   0.00011   0.00009   1.89057
   A171       2.09878  -0.00002   0.00001  -0.00010  -0.00009   2.09869
   A172       2.09274  -0.00003   0.00004  -0.00006  -0.00001   2.09273
   A173       2.09166   0.00006  -0.00005   0.00016   0.00011   2.09176
    D1        0.58076   0.00008   0.02665   0.01099   0.03763   0.61839
    D2       -1.58792   0.00000   0.02589   0.01073   0.03662  -1.55131
    D3        2.66790   0.00000   0.02594   0.01036   0.03631   2.70420
    D4        2.37344   0.00021  -0.00064   0.00504   0.00440   2.37784
    D5       -1.85812   0.00014  -0.00065   0.00508   0.00443  -1.85368
    D6        0.25200   0.00017  -0.00068   0.00573   0.00504   0.25704
    D7       -2.13118  -0.00004  -0.00018   0.00075   0.00057  -2.13061
    D8        1.10840  -0.00001  -0.00006   0.00090   0.00084   1.10923
    D9        0.91829   0.00007   0.00018   0.00294   0.00313   0.92142
   D10       -1.23868   0.00019   0.00012   0.00438   0.00451  -1.23417
   D11        2.98184  -0.00003   0.00007   0.00352   0.00359   2.98543
   D12       -2.65139   0.00009   0.00071  -0.00209  -0.00138  -2.65277
   D13        1.47482   0.00021   0.00065  -0.00065   0.00000   1.47482
   D14       -0.58784  -0.00001   0.00060  -0.00151  -0.00092  -0.58876
   D15        2.58066   0.00018   0.00267   0.00362   0.00630   2.58696
   D16       -1.58279   0.00012   0.00279   0.00398   0.00677  -1.57602
   D17        0.45872   0.00013   0.00285   0.00346   0.00631   0.46503
   D18       -0.12299   0.00005   0.00208   0.00884   0.01093  -0.11206
   D19        1.99675  -0.00001   0.00220   0.00921   0.01140   2.00815
   D20       -2.24493  -0.00001   0.00226   0.00869   0.01095  -2.23399
   D21        0.08028   0.00007  -0.00218   0.00469   0.00252   0.08280
   D22       -3.13961  -0.00006  -0.00238   0.00005  -0.00232   3.14126
   D23        2.78582   0.00013  -0.00167  -0.00069  -0.00236   2.78346
   D24       -0.43407   0.00000  -0.00187  -0.00533  -0.00720  -0.44127
   D25       -0.86760   0.00007   0.00386   0.00554   0.00940  -0.85820
   D26       -3.05432   0.00002   0.00361   0.00541   0.00902  -3.04530
   D27        1.18121   0.00013   0.00373   0.00619   0.00993   1.19113
   D28        2.31079   0.00003  -0.00017  -0.00471  -0.00488   2.30591
   D29        0.12407  -0.00002  -0.00042  -0.00484  -0.00526   0.11881
   D30       -1.92359   0.00008  -0.00030  -0.00405  -0.00435  -1.92795
   D31        0.10075   0.00009  -0.00225  -0.00488  -0.00712   0.09362
   D32       -3.08092   0.00012  -0.00175  -0.00174  -0.00349  -3.08441
   D33       -3.07819   0.00013   0.00184   0.00553   0.00737  -3.07081
   D34        0.02334   0.00016   0.00235   0.00866   0.01101   0.03435
   D35       -1.76325   0.00000  -0.00129  -0.00144  -0.00273  -1.76599
   D36        2.37752  -0.00001  -0.00115  -0.00130  -0.00245   2.37507
   D37        0.29654   0.00004  -0.00105  -0.00058  -0.00163   0.29491
   D38        1.02286  -0.00005  -0.00276  -0.00617  -0.00893   1.01392
   D39       -1.11956  -0.00006  -0.00262  -0.00603  -0.00865  -1.12821
   D40        3.08265   0.00000  -0.00252  -0.00531  -0.00783   3.07482
   D41       -0.15657   0.00011  -0.00109  -0.00067  -0.00176  -0.15833
   D42        3.05070  -0.00001  -0.00128  -0.00184  -0.00312   3.04758
   D43       -2.93555   0.00017   0.00041   0.00420   0.00460  -2.93094
   D44        0.27172   0.00005   0.00021   0.00303   0.00325   0.27497
   D45       -2.89448  -0.00011   0.00028  -0.00587  -0.00559  -2.90007
   D46        0.32385  -0.00001   0.00047  -0.00137  -0.00090   0.32295
   D47       -0.24892  -0.00003  -0.00299   0.00396   0.00097  -0.24796
   D48        2.96940   0.00007  -0.00280   0.00846   0.00566   2.97506
   D49        0.32825   0.00000   0.00047   0.00337   0.00383   0.33209
   D50        2.46372   0.00002   0.00064   0.00265   0.00327   2.46699
   D51       -1.77784   0.00001   0.00057   0.00307   0.00363  -1.77421
   D52       -2.30236  -0.00009   0.00386  -0.00687  -0.00301  -2.30536
   D53       -0.16689  -0.00008   0.00402  -0.00759  -0.00356  -0.17046
   D54        1.87473  -0.00009   0.00396  -0.00717  -0.00320   1.87153
   D55       -0.90142   0.00016  -0.00052   0.00047  -0.00006  -0.90148
   D56        1.22840   0.00012  -0.00052   0.00008  -0.00044   1.22795
   D57       -3.02675   0.00011  -0.00029   0.00017  -0.00012  -3.02686
   D58        1.30333  -0.00006  -0.00026   0.00039   0.00014   1.30347
   D59       -2.85003  -0.00009  -0.00025   0.00000  -0.00025  -2.85029
   D60       -0.82200  -0.00010  -0.00002   0.00010   0.00008  -0.82192
   D61       -2.96570   0.00004  -0.00037   0.00048   0.00011  -2.96559
   D62       -0.83588   0.00001  -0.00037   0.00009  -0.00028  -0.83616
   D63        1.19216   0.00000  -0.00013   0.00018   0.00005   1.19221
   D64       -1.07955   0.00012   0.00006  -0.00041  -0.00034  -1.07989
   D65        1.06212   0.00002   0.00004  -0.00099  -0.00094   1.06118
   D66        3.09835   0.00008   0.00008  -0.00077  -0.00069   3.09766
   D67        2.96563   0.00003  -0.00025  -0.00085  -0.00110   2.96454
   D68       -1.17588  -0.00007  -0.00027  -0.00143  -0.00170  -1.17757
   D69        0.86035  -0.00001  -0.00023  -0.00121  -0.00144   0.85890
   D70        0.96857   0.00001  -0.00011  -0.00143  -0.00154   0.96703
   D71        3.11024  -0.00009  -0.00013  -0.00201  -0.00214   3.10810
   D72       -1.13672  -0.00003  -0.00009  -0.00179  -0.00188  -1.13860
   D73        3.04687  -0.00008   0.00002   0.00125   0.00127   3.04814
   D74        0.93318  -0.00010   0.00005   0.00085   0.00090   0.93408
   D75       -1.17371  -0.00007   0.00004   0.00128   0.00133  -1.17238
   D76       -1.06999   0.00011   0.00025  -0.00018   0.00007  -1.06992
   D77        3.09950   0.00009   0.00028  -0.00058  -0.00030   3.09920
   D78        0.99262   0.00012   0.00028  -0.00015   0.00013   0.99274
   D79        0.98293  -0.00002   0.00019   0.00008   0.00027   0.98319
   D80       -1.13077  -0.00004   0.00022  -0.00032  -0.00010  -1.13087
   D81        3.04553  -0.00001   0.00022   0.00011   0.00033   3.04586
   D82        1.71686  -0.00019   0.00072  -0.00230  -0.00159   1.71527
   D83       -1.38536  -0.00023   0.00022  -0.00540  -0.00518  -1.39054
   D84       -0.48974   0.00003   0.00066  -0.00040   0.00027  -0.48947
   D85        2.69123   0.00000   0.00016  -0.00349  -0.00333   2.68791
   D86       -2.52271   0.00012   0.00071  -0.00072  -0.00001  -2.52272
   D87        0.65826   0.00009   0.00021  -0.00381  -0.00360   0.65466
   D88        1.41083  -0.00009  -0.00904  -0.00235  -0.01139   1.39944
   D89       -2.71777  -0.00002  -0.00751  -0.00174  -0.00924  -2.72701
   D90       -0.61723   0.00002  -0.00743  -0.00111  -0.00854  -0.62577
   D91       -0.70627  -0.00007  -0.00893  -0.00213  -0.01106  -0.71734
   D92        1.44831   0.00001  -0.00740  -0.00152  -0.00892   1.43940
   D93       -2.73434   0.00004  -0.00732  -0.00090  -0.00821  -2.74255
   D94       -2.76380  -0.00003  -0.00902  -0.00179  -0.01081  -2.77461
   D95       -0.60921   0.00004  -0.00748  -0.00118  -0.00866  -0.61788
   D96        1.49132   0.00008  -0.00740  -0.00056  -0.00796   1.48336
   D97       -1.08241   0.00002   0.00224   0.00536   0.00760  -1.07481
   D98        1.08354  -0.00006   0.00204   0.00501   0.00705   1.09059
   D99        3.14020  -0.00002   0.00208   0.00485   0.00694  -3.13605
   D100       3.01003   0.00011   0.00133   0.00554   0.00686   3.01689
   D101      -1.10721   0.00003   0.00113   0.00519   0.00631  -1.10089
   D102       0.94946   0.00007   0.00117   0.00503   0.00620   0.95566
   D103       0.89536   0.00004   0.00125   0.00504   0.00629   0.90165
   D104       3.06130  -0.00004   0.00105   0.00469   0.00574   3.06705
   D105      -1.16522   0.00000   0.00110   0.00453   0.00563  -1.15959
   D106      -1.05796   0.00003   0.00058  -0.00174  -0.00116  -1.05913
   D107       3.13682   0.00002   0.00058  -0.00178  -0.00119   3.13563
   D108       1.05141   0.00003   0.00056  -0.00171  -0.00115   1.05026
   D109       1.07434  -0.00003   0.00060  -0.00164  -0.00104   1.07330
   D110      -1.01406  -0.00003   0.00061  -0.00167  -0.00107  -1.01513
   D111      -3.09947  -0.00002   0.00058  -0.00161  -0.00103  -3.10050
   D112      -3.11998  -0.00002   0.00062  -0.00147  -0.00085  -3.12083
   D113       1.07480  -0.00002   0.00063  -0.00151  -0.00088   1.07392
   D114      -1.01061  -0.00001   0.00060  -0.00144  -0.00084  -1.01145
   D115       0.91384   0.00001   0.00055  -0.00108  -0.00053   0.91331
   D116      -1.19157   0.00002   0.00053  -0.00095  -0.00042  -1.19199
   D117       3.00181   0.00002   0.00052  -0.00090  -0.00038   3.00143
   D118      -1.19508  -0.00003   0.00055  -0.00140  -0.00085  -1.19593
   D119       2.98270  -0.00002   0.00052  -0.00127  -0.00075   2.98195
   D120       0.89289  -0.00002   0.00051  -0.00122  -0.00071   0.89219
   D121       3.00993  -0.00002   0.00051  -0.00169  -0.00118   3.00875
   D122       0.90452   0.00000   0.00048  -0.00156  -0.00107   0.90345
   D123      -1.18528   0.00000   0.00047  -0.00151  -0.00103  -1.18631
   D124      -1.03853   0.00002   0.00091  -0.00005   0.00086  -1.03767
   D125       1.11099  -0.00001   0.00076  -0.00044   0.00032   1.11131
   D126      -3.13978  -0.00001   0.00093  -0.00028   0.00065  -3.13912
   D127       3.08392   0.00007   0.00125  -0.00003   0.00122   3.08514
   D128      -1.04974   0.00003   0.00109  -0.00042   0.00067  -1.04907
   D129       0.98268   0.00003   0.00127  -0.00026   0.00101   0.98369
   D130       1.03546   0.00000   0.00096  -0.00052   0.00044   1.03590
   D131      -3.09820  -0.00004   0.00081  -0.00091  -0.00010  -3.09831
   D132      -1.06578  -0.00004   0.00098  -0.00075   0.00023  -1.06555
   D133      -1.54886  -0.00012   0.00001  -0.00166  -0.00165  -1.55051
   D134       1.60465  -0.00015   0.00010  -0.00206  -0.00197   1.60269
   D135       2.59161   0.00004  -0.00006  -0.00108  -0.00114   2.59047
   D136      -0.53807   0.00001   0.00002  -0.00148  -0.00146  -0.53953
   D137       0.53540  -0.00002  -0.00005  -0.00100  -0.00105   0.53436
   D138      -2.59427  -0.00005   0.00004  -0.00140  -0.00136  -2.59564
   D139       0.73688  -0.00001  -0.00116  -0.00617  -0.00733   0.72955
   D140       2.83490  -0.00003  -0.00108  -0.00588  -0.00696   2.82794
   D141      -1.39111  -0.00002  -0.00109  -0.00618  -0.00727  -1.39838
   D142      -1.36502  -0.00001  -0.00125  -0.00624  -0.00749  -1.37251
   D143       0.73300  -0.00003  -0.00118  -0.00594  -0.00712   0.72588
   D144       2.79017  -0.00002  -0.00119  -0.00625  -0.00743   2.78274
   D145       2.86417   0.00005  -0.00135  -0.00585  -0.00720   2.85697
   D146      -1.32100   0.00004  -0.00127  -0.00555  -0.00682  -1.32782
   D147       0.73618   0.00004  -0.00128  -0.00586  -0.00713   0.72904
   D148      -0.83716  -0.00001  -0.00019   0.00030   0.00011  -0.83705
   D149      -2.97337  -0.00002  -0.00041   0.00131   0.00091  -2.97246
   D150       1.25772  -0.00002  -0.00039   0.00092   0.00053   1.25825
   D151      -2.93176   0.00000  -0.00026   0.00008  -0.00017  -2.93193
   D152       1.21522   0.00000  -0.00048   0.00110   0.00062   1.21584
   D153      -0.83688  -0.00001  -0.00046   0.00070   0.00024  -0.83664
   D154       1.28403   0.00004  -0.00030   0.00043   0.00013   1.28416
   D155      -0.85218   0.00003  -0.00052   0.00145   0.00093  -0.85125
   D156      -2.90427   0.00003  -0.00050   0.00105   0.00055  -2.90372
   D157      -1.25031  -0.00003  -0.00109  -0.00151  -0.00260  -1.25291
   D158       1.90641  -0.00004  -0.00115  -0.00172  -0.00287   1.90354
   D159       2.89248  -0.00001  -0.00107  -0.00121  -0.00228   2.89020
   D160      -0.23399  -0.00001  -0.00114  -0.00141  -0.00255  -0.23654
   D161       0.83540   0.00001  -0.00107  -0.00108  -0.00216   0.83324
   D162      -2.29108   0.00001  -0.00114  -0.00128  -0.00242  -2.29350
   D163      -3.13038   0.00000   0.00001   0.00014   0.00015  -3.13023
   D164       0.00965   0.00000   0.00004   0.00022   0.00026   0.00991
   D165      -0.00054   0.00003  -0.00007   0.00053   0.00046  -0.00008
   D166       3.13949   0.00002  -0.00004   0.00062   0.00057   3.14006
   D167       3.13171   0.00000   0.00001  -0.00030  -0.00029   3.13142
   D168      -0.01460  -0.00005   0.00009  -0.00102  -0.00093  -0.01553
   D169       0.00195  -0.00003   0.00009  -0.00070  -0.00061   0.00135
   D170       3.13883  -0.00008   0.00017  -0.00142  -0.00125   3.13759
   D171      -3.12592   0.00000  -0.00003   0.00005   0.00003  -3.12589
   D172       0.02219   0.00000   0.00000   0.00013   0.00012   0.02231
   D173       0.00074   0.00001   0.00004   0.00025   0.00029   0.00103
   D174      -3.13434   0.00000   0.00006   0.00033   0.00039  -3.13395
   D175       3.12417   0.00001   0.00002   0.00004   0.00006   3.12423
   D176      -0.02012   0.00000  -0.00007  -0.00011  -0.00018  -0.02029
   D177      -0.00245   0.00000  -0.00005  -0.00015  -0.00020  -0.00265
   D178       3.13644  -0.00001  -0.00014  -0.00030  -0.00044   3.13601
   D179       2.70767   0.00004  -0.00022   0.00302   0.00280   2.71047
   D180       0.66506  -0.00003  -0.00015   0.00258   0.00242   0.66749
   D181      -1.41639  -0.00006  -0.00016   0.00187   0.00171  -1.41468
   D182      -0.49684   0.00016  -0.00004   0.00416   0.00412  -0.49272
   D183      -2.53945   0.00009   0.00003   0.00372   0.00374  -2.53570
   D184       1.66229   0.00006   0.00002   0.00301   0.00303   1.66532
   D185      -0.00053   0.00000   0.00001  -0.00001  -0.00001  -0.00054
   D186       3.14035   0.00000   0.00000   0.00007   0.00007   3.14042
   D187      -3.14056   0.00000  -0.00002  -0.00010  -0.00012  -3.14068
   D188       0.00032   0.00000  -0.00003  -0.00001  -0.00004   0.00028
   D189      -0.00232   0.00001  -0.00005   0.00035   0.00031  -0.00201
   D190       3.13693   0.00001  -0.00005   0.00033   0.00028   3.13721
   D191      -3.13924   0.00006  -0.00012   0.00107   0.00094  -3.13830
   D192       0.00001   0.00005  -0.00013   0.00105   0.00092   0.00092
   D193       0.00156  -0.00001   0.00000  -0.00016  -0.00016   0.00141
   D194      -3.13793  -0.00001   0.00003  -0.00019  -0.00017  -3.13810
   D195       3.13662   0.00000  -0.00002  -0.00023  -0.00025   3.13636
   D196      -0.00287   0.00000   0.00000  -0.00026  -0.00026  -0.00314
   D197       0.00187   0.00000   0.00002  -0.00004  -0.00002   0.00185
   D198      -3.14022  -0.00001   0.00002  -0.00011  -0.00009  -3.14031
   D199      -3.13702   0.00001   0.00011   0.00011   0.00022  -3.13681
   D200       0.00407   0.00000   0.00011   0.00004   0.00014   0.00422
   D201       0.00018  -0.00001   0.00004  -0.00034  -0.00030  -0.00011
   D202      -3.14158   0.00000   0.00002  -0.00005  -0.00003   3.14158
   D203      -3.14069  -0.00001   0.00005  -0.00043  -0.00038  -3.14107
   D204       0.00073   0.00000   0.00002  -0.00013  -0.00011   0.00062
   D205       0.00124   0.00001  -0.00002   0.00017   0.00015   0.00139
   D206      -3.14018   0.00000   0.00000  -0.00012  -0.00012  -3.14030
   D207      -3.13800   0.00002  -0.00002   0.00019   0.00017  -3.13783
   D208       0.00377   0.00000   0.00001  -0.00010  -0.00010   0.00367
   D209      -0.00215   0.00000  -0.00003  -0.00004  -0.00007  -0.00222
   D210       3.14057   0.00000   0.00000  -0.00011  -0.00010   3.14047
   D211       3.13733   0.00000  -0.00005  -0.00001  -0.00006   3.13728
   D212      -0.00313   0.00000  -0.00002  -0.00007  -0.00009  -0.00322
   D213       0.00044   0.00001   0.00001   0.00014   0.00016   0.00060
   D214       3.14090   0.00000  -0.00002   0.00021   0.00019   3.14109
   D215      -3.14065   0.00001   0.00002   0.00021   0.00023  -3.14042
   D216      -0.00019   0.00001  -0.00001   0.00028   0.00026   0.00007
   D217      -3.06035   0.00004   0.00017   0.00079   0.00096  -3.05939
   D218       0.07263   0.00005   0.00019   0.00166   0.00185   0.07449
   D219      -0.01701   0.00001   0.00004   0.00065   0.00069  -0.01631
   D220       3.11597   0.00002   0.00007   0.00152   0.00159   3.11756
   D221       3.06350   0.00002  -0.00020  -0.00040  -0.00060   3.06289
   D222      -0.06860   0.00003  -0.00020   0.00010  -0.00010  -0.06870
   D223       0.02390   0.00000  -0.00008  -0.00028  -0.00035   0.02354
   D224      -3.10820   0.00002  -0.00007   0.00022   0.00015  -3.10805
   D225      -0.00175  -0.00001   0.00002  -0.00057  -0.00055  -0.00231
   D226       3.14132  -0.00001   0.00007  -0.00027  -0.00021   3.14112
   D227      -3.13482  -0.00002  -0.00001  -0.00144  -0.00144  -3.13626
   D228       0.00826  -0.00002   0.00004  -0.00114  -0.00110   0.00716
   D229      -2.83639  -0.00001   0.00023  -0.00167  -0.00144  -2.83783
   D230       1.35707   0.00006   0.00033  -0.00150  -0.00117   1.35590
   D231      -0.73517  -0.00001   0.00026  -0.00148  -0.00121  -0.73638
   D232       0.29644   0.00001   0.00026  -0.00079  -0.00053   0.29591
   D233      -1.79329   0.00007   0.00036  -0.00061  -0.00026  -1.79354
   D234       2.39766   0.00000   0.00029  -0.00059  -0.00030   2.39736
   D235      -0.01219  -0.00001   0.00005  -0.00019  -0.00014  -0.01233
   D236       3.13712  -0.00002   0.00009  -0.00035  -0.00026   3.13686
   D237       3.12004  -0.00002   0.00004  -0.00067  -0.00063   3.11941
   D238      -0.01383  -0.00003   0.00008  -0.00083  -0.00075  -0.01458
   D239       2.81785  -0.00001   0.00016   0.00093   0.00109   2.81894
   D240       0.71720   0.00001   0.00013   0.00107   0.00121   0.71841
   D241      -1.37140  -0.00001   0.00017   0.00094   0.00111  -1.37029
   D242      -0.31410   0.00000   0.00017   0.00143   0.00160  -0.31250
   D243      -2.41475   0.00002   0.00014   0.00157   0.00171  -2.41303
   D244       1.77984   0.00000   0.00018   0.00144   0.00161   1.78145
   D245       0.01320   0.00001  -0.00005   0.00013   0.00008   0.01328
   D246      -3.13405   0.00001  -0.00003   0.00031   0.00027  -3.13378
   D247      -3.12989   0.00000  -0.00010  -0.00017  -0.00027  -3.13015
   D248       0.00605   0.00001  -0.00008   0.00001  -0.00007   0.00597
   D249      -0.00605   0.00000   0.00001   0.00026   0.00027  -0.00578
   D250       3.14120   0.00000   0.00000   0.00008   0.00008   3.14128
   D251       3.12778   0.00001  -0.00003   0.00042   0.00039   3.12818
   D252      -0.00815   0.00000  -0.00004   0.00024   0.00020  -0.00795
         Item               Value     Threshold  Converged?
 Maximum Force            0.000875     0.000450     NO 
 RMS     Force            0.000111     0.000300     YES
 Maximum Displacement     0.063145     0.001800     NO 
 RMS     Displacement     0.016095     0.001200     NO 
 Predicted change in Energy=-1.491487D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.255720   -0.014068   -0.913194
      2          8           0       -2.637992    0.220504   -2.477586
      3          8           0       -3.543251   -2.161748    1.273617
      4          8           0        2.342141    2.302520    2.265778
      5          8           0        3.462234   -0.998119    1.595594
      6          7           0       -2.745596   -2.635370   -0.863516
      7          7           0       -3.208315    0.394469   -0.250991
      8          7           0        2.133277    1.083423    0.324197
      9          7           0       -1.784260   -3.627862    1.129584
     10          6           0       -2.804568    1.765541   -0.042877
     11          6           0       -3.717027   -1.720484   -1.429072
     12          6           0       -1.416519    2.124086   -0.600631
     13          6           0       -0.298241    1.189709   -0.164591
     14          6           0       -4.190823   -2.098630   -2.848935
     15          6           0        1.087140    1.903543   -0.243297
     16          6           0       -2.876698    2.155580    1.449264
     17          6           0       -3.147564   -0.270563   -1.446100
     18          6           0       -1.563020   -2.935135   -1.644254
     19          6           0       -0.311708   -3.217660   -0.817197
     20          6           0        1.387072    2.281522   -1.706151
     21          6           0       -2.705719   -2.756394    0.541867
     22          6           0       -5.294486   -1.148476   -3.274475
     23          6           0       -4.700081   -3.523902   -2.898718
     24          6           0       -0.639993   -4.090331    0.390950
     25          6           0       -4.259153    2.061970    1.991204
     26          6           0        2.658604    3.036518   -1.858380
     27          6           0        2.633706    1.295474    1.587021
     28          6           0       -5.117851    3.165420    1.912518
     29          6           0       -4.711962    0.882486    2.595148
     30          6           0        2.748254    4.363224   -1.418795
     31          6           0        3.772703    2.437603   -2.457364
     32          6           0        3.650144    0.305848    2.155142
     33          6           0       -6.409658    3.090903    2.429646
     34          6           0       -6.005875    0.810955    3.110248
     35          6           0       -6.855971    1.913399    3.029560
     36          6           0        3.933434    5.078416   -1.577601
     37          6           0        4.957018    3.155723   -2.617018
     38          6           0        5.039550    4.476612   -2.178126
     39          6           0        4.641067   -1.639698    1.223363
     40          6           0        4.763189   -2.037024   -0.121854
     41          6           0        5.614542   -1.983277    2.179472
     42          6           0        5.891709   -2.771239   -0.501278
     43          6           0        6.733835   -2.710856    1.761399
     44          6           0        3.722399   -1.699754   -1.119195
     45          6           0        5.467513   -1.602629    3.602718
     46          6           0        6.872895   -3.098696    0.431075
     47          1           0       -3.542853    2.424510   -0.601013
     48          1           0       -4.631114   -1.746622   -0.756250
     49          1           0       -1.483570    2.124431   -1.723583
     50          1           0       -1.177323    3.168290   -0.269311
     51          1           0       -0.470315    0.848263    0.897781
     52          1           0       -3.323661   -1.982597   -3.558044
     53          1           0        1.022043    2.854624    0.367173
     54          1           0       -3.576190   -0.090467    0.542613
     55          1           0       -2.186730    1.504522    2.049686
     56          1           0       -2.507039    3.211891    1.541160
     57          1           0       -1.799532   -3.836791   -2.280631
     58          1           0       -1.346576   -2.064283   -2.332493
     59          1           0        0.435664   -3.746314   -1.460862
     60          1           0        0.144404   -2.247065   -0.482209
     61          1           0        1.409819    1.350680   -2.333869
     62          1           0        0.536117    2.916444   -2.073901
     63          1           0       -6.166864   -1.218314   -2.580965
     64          1           0       -5.639969   -1.410205   -4.303765
     65          1           0       -4.923258   -0.094781   -3.284555
     66          1           0       -5.467484   -3.694672   -2.105519
     67          1           0       -3.871334   -4.256682   -2.751531
     68          1           0       -5.168696   -3.723169   -3.893469
     69          1           0        0.254652   -4.135371    1.074338
     70          1           0       -0.856787   -5.140941    0.037456
     71          1           0        2.256309    0.184050   -0.086416
     72          1           0       -1.707129   -3.555812    2.118040
     73          1           0       -0.507063    0.188428   -1.826179
     74          1           0       -4.768936    4.096091    1.440805
     75          1           0       -4.051481    0.001419    2.663207
     76          1           0        1.878917    4.838531   -0.940424
     77          1           0        3.714438    1.394060   -2.801425
     78          1           0        3.468864    0.220407    3.261001
     79          1           0        4.679483    0.704038    1.963064
     80          1           0       -7.076905    3.962734    2.364491
     81          1           0       -6.354240   -0.121313    3.579271
     82          1           0       -7.875380    1.854876    3.437558
     83          1           0        3.996268    6.118894   -1.226525
     84          1           0        5.827409    2.677840   -3.089855
     85          1           0        5.973981    5.042243   -2.303904
     86          1           0        6.001577   -3.089639   -1.549063
     87          1           0        7.506813   -2.983783    2.495865
     88          1           0        3.816782   -2.340835   -2.030063
     89          1           0        3.824405   -0.629212   -1.433565
     90          1           0        2.700410   -1.847836   -0.686101
     91          1           0        6.131599   -2.222580    4.253917
     92          1           0        4.408985   -1.745134    3.936737
     93          1           0        5.740400   -0.526540    3.747497
     94          1           0        7.758927   -3.670342    0.117107
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0837026      0.0417193      0.0367063
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3251.7156691557 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247876186571     A.U. after   12 cycles
             Convg  =    0.7812D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000060956   -0.000131872    0.000038742
      2        8           0.000200881   -0.000041694   -0.000061605
      3        8          -0.000070093   -0.000038454   -0.000180522
      4        8           0.000018121    0.000083729    0.000103840
      5        8          -0.000018741   -0.000013911    0.000116454
      6        7           0.000326232    0.000133631    0.000217649
      7        7          -0.000170798   -0.000066080   -0.000240992
      8        7          -0.000288868    0.000009779   -0.000012069
      9        7           0.000063273   -0.000235563   -0.000102141
     10        6          -0.000097737   -0.000028690    0.000054018
     11        6          -0.000537964    0.000050002    0.000133779
     12        6          -0.000010278    0.000092640    0.000084543
     13        6           0.000272178   -0.000183743   -0.000187129
     14        6          -0.000088460    0.000037416   -0.000016568
     15        6           0.000093703    0.000068566   -0.000026971
     16        6           0.000026851   -0.000018663    0.000005827
     17        6          -0.000430871   -0.000187938   -0.000056350
     18        6           0.000150206   -0.000246987    0.000144862
     19        6           0.000143327    0.000047320   -0.000005172
     20        6           0.000017895    0.000016234   -0.000041666
     21        6          -0.000256105    0.000608502   -0.000042884
     22        6           0.000035654    0.000006093    0.000055114
     23        6          -0.000063911   -0.000018302   -0.000022730
     24        6           0.000298891   -0.000177210    0.000208269
     25        6          -0.000080131   -0.000078492    0.000027734
     26        6           0.000052529   -0.000003349    0.000034993
     27        6          -0.000262212   -0.000127718   -0.000099615
     28        6           0.000020074   -0.000027797    0.000010008
     29        6           0.000079746    0.000052145    0.000017336
     30        6          -0.000019243   -0.000004856   -0.000031893
     31        6          -0.000000947    0.000010952    0.000004566
     32        6           0.000103308   -0.000001335   -0.000208420
     33        6          -0.000009886    0.000000637   -0.000005413
     34        6          -0.000003635   -0.000001742   -0.000001831
     35        6           0.000005064   -0.000004846    0.000017490
     36        6          -0.000008756    0.000001028   -0.000012764
     37        6           0.000010760   -0.000015480    0.000005876
     38        6           0.000001401   -0.000004302    0.000005001
     39        6           0.000151771    0.000160768   -0.000107759
     40        6           0.000082560   -0.000093903    0.000144923
     41        6          -0.000257959    0.000045886    0.000047492
     42        6          -0.000246754   -0.000008665    0.000064696
     43        6           0.000188648   -0.000091982    0.000118915
     44        6          -0.000030968   -0.000041046    0.000026005
     45        6           0.000056476    0.000018023   -0.000084873
     46        6           0.000186406    0.000011483   -0.000130388
     47        1           0.000056337    0.000024883   -0.000025444
     48        1          -0.000029892   -0.000035217    0.000039228
     49        1           0.000034644    0.000072910    0.000010983
     50        1           0.000026034    0.000012483    0.000009920
     51        1          -0.000040474   -0.000055182   -0.000019864
     52        1          -0.000057800    0.000066225    0.000051552
     53        1           0.000044261    0.000051802    0.000080388
     54        1           0.000093974    0.000111461   -0.000126503
     55        1          -0.000031572   -0.000022419    0.000051473
     56        1           0.000028458    0.000061621    0.000040180
     57        1           0.000001444   -0.000052829    0.000011739
     58        1           0.000070425   -0.000079725    0.000048518
     59        1           0.000027588    0.000014165   -0.000016603
     60        1           0.000058505   -0.000001482    0.000013614
     61        1          -0.000001316   -0.000068041   -0.000016821
     62        1           0.000045492   -0.000022123    0.000002776
     63        1           0.000031141   -0.000018266    0.000012089
     64        1           0.000020121   -0.000015502   -0.000012659
     65        1           0.000008865    0.000031954    0.000025702
     66        1           0.000015294   -0.000023154    0.000004031
     67        1          -0.000025551   -0.000005537   -0.000012049
     68        1           0.000008291    0.000007220   -0.000034026
     69        1           0.000002744   -0.000033735    0.000009892
     70        1           0.000008027   -0.000018181   -0.000060256
     71        1          -0.000050828    0.000111817   -0.000010487
     72        1           0.000209091    0.000224684   -0.000168867
     73        1          -0.000158155    0.000145982   -0.000072147
     74        1           0.000023046    0.000014784    0.000010373
     75        1          -0.000038977   -0.000064446    0.000055012
     76        1           0.000007593   -0.000008473    0.000009748
     77        1          -0.000003324   -0.000003941   -0.000012460
     78        1          -0.000020685   -0.000044976   -0.000011845
     79        1          -0.000017697    0.000005610    0.000040628
     80        1           0.000017197    0.000006445    0.000010706
     81        1          -0.000006512   -0.000018307   -0.000017729
     82        1           0.000006493   -0.000013078   -0.000006468
     83        1           0.000006725    0.000004271    0.000014251
     84        1          -0.000007400    0.000010137   -0.000012709
     85        1          -0.000003764    0.000013569    0.000004269
     86        1           0.000043556    0.000010584    0.000006621
     87        1          -0.000031930   -0.000001768   -0.000031018
     88        1           0.000001619    0.000032723   -0.000008033
     89        1           0.000024788    0.000010534   -0.000003571
     90        1           0.000033413   -0.000009322    0.000067728
     91        1          -0.000013195    0.000006735   -0.000004706
     92        1           0.000030751   -0.000009289    0.000002673
     93        1           0.000022628    0.000015359    0.000015876
     94        1          -0.000040154   -0.000003179    0.000025921
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000608502 RMS     0.000101735

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.001038532 RMS     0.000098028
 Search for a local minimum.
 Step number  35 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35
 DE= -1.09D-05 DEPred=-1.49D-05 R= 7.30D-01
 SS=  1.41D+00  RLast= 8.77D-02 DXNew= 2.0928D+00 2.6314D-01
 Trust test= 7.30D-01 RLast= 8.77D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00162   0.00187   0.00213   0.00235   0.00253
     Eigenvalues ---    0.00263   0.00288   0.00315   0.00375   0.00429
     Eigenvalues ---    0.00438   0.00485   0.00493   0.00541   0.00581
     Eigenvalues ---    0.00624   0.00656   0.00715   0.00827   0.00967
     Eigenvalues ---    0.01258   0.01323   0.01395   0.01424   0.01442
     Eigenvalues ---    0.01480   0.01494   0.01573   0.01609   0.01735
     Eigenvalues ---    0.02003   0.02056   0.02092   0.02115   0.02125
     Eigenvalues ---    0.02143   0.02151   0.02154   0.02156   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02189   0.02189   0.02282   0.02307   0.02498
     Eigenvalues ---    0.02740   0.03111   0.03212   0.03456   0.03614
     Eigenvalues ---    0.03803   0.03973   0.03991   0.04165   0.04262
     Eigenvalues ---    0.04378   0.04420   0.04591   0.04683   0.04760
     Eigenvalues ---    0.04844   0.04994   0.05024   0.05068   0.05240
     Eigenvalues ---    0.05328   0.05399   0.05432   0.05487   0.05558
     Eigenvalues ---    0.05596   0.05634   0.05651   0.05679   0.05924
     Eigenvalues ---    0.05984   0.06437   0.06861   0.06997   0.07118
     Eigenvalues ---    0.07166   0.07237   0.07368   0.07482   0.07540
     Eigenvalues ---    0.07802   0.08031   0.08289   0.08713   0.09226
     Eigenvalues ---    0.09389   0.09512   0.09720   0.11028   0.11593
     Eigenvalues ---    0.12133   0.12573   0.12853   0.12990   0.14086
     Eigenvalues ---    0.14352   0.15355   0.15852   0.15903   0.15957
     Eigenvalues ---    0.15993   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16003
     Eigenvalues ---    0.16005   0.16008   0.16012   0.16015   0.16023
     Eigenvalues ---    0.16053   0.16190   0.16229   0.16483   0.16655
     Eigenvalues ---    0.17494   0.17811   0.19098   0.19235   0.19601
     Eigenvalues ---    0.20122   0.20585   0.21037   0.21540   0.21946
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22013   0.22071
     Eigenvalues ---    0.22341   0.22416   0.23015   0.23327   0.23391
     Eigenvalues ---    0.23460   0.23542   0.23773   0.23962   0.24655
     Eigenvalues ---    0.24700   0.24868   0.24971   0.25036   0.25119
     Eigenvalues ---    0.25260   0.25643   0.25855   0.26653   0.26900
     Eigenvalues ---    0.27074   0.27956   0.28170   0.28317   0.28584
     Eigenvalues ---    0.28796   0.29255   0.29341   0.29945   0.30086
     Eigenvalues ---    0.30531   0.31034   0.31611   0.32162   0.32769
     Eigenvalues ---    0.33202   0.34003   0.34315   0.34425   0.34510
     Eigenvalues ---    0.34520   0.34598   0.34624   0.34657   0.34686
     Eigenvalues ---    0.34695   0.34706   0.34716   0.34731   0.34741
     Eigenvalues ---    0.34748   0.34755   0.34768   0.34773   0.34788
     Eigenvalues ---    0.34794   0.34806   0.34812   0.34819   0.34830
     Eigenvalues ---    0.34832   0.34843   0.34875   0.34913   0.34994
     Eigenvalues ---    0.35086   0.35456   0.35767   0.35882   0.35899
     Eigenvalues ---    0.35924   0.35949   0.35968   0.35972   0.35987
     Eigenvalues ---    0.35991   0.36004   0.36027   0.36034   0.36042
     Eigenvalues ---    0.36063   0.37229   0.37679   0.39030   0.40705
     Eigenvalues ---    0.40917   0.42070   0.42253   0.42286   0.42353
     Eigenvalues ---    0.43040   0.43734   0.44543   0.45289   0.45588
     Eigenvalues ---    0.45911   0.46133   0.46226   0.46251   0.46309
     Eigenvalues ---    0.46370   0.46515   0.46730   0.46766   0.46831
     Eigenvalues ---    0.46934   0.47314   0.47651   0.48995   0.50379
     Eigenvalues ---    0.51784   0.52848   0.56390   0.57926   0.59592
     Eigenvalues ---    0.62784   0.84760   0.88867   0.91457   0.92877
     Eigenvalues ---    0.949421000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    35   34   33   32   31
 RFO step:  Lambda=-6.62971979D-06.
 DIIS coeffs:      0.86205      0.20441     -0.09359      0.03914     -0.01201
 Iteration  1 RMS(Cart)=  0.00871014 RMS(Int)=  0.00001117
 Iteration  2 RMS(Cart)=  0.00002475 RMS(Int)=  0.00000391
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000391
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68001  -0.00011   0.00001   0.00031   0.00032   2.68033
    R2        1.82993  -0.00001  -0.00001  -0.00013  -0.00015   1.82979
    R3        2.36387  -0.00003   0.00001   0.00002   0.00003   2.36391
    R4        2.38324   0.00014   0.00002   0.00012   0.00014   2.38338
    R5        2.36016  -0.00010   0.00002  -0.00007  -0.00005   2.36012
    R6        2.70484   0.00030   0.00005   0.00024   0.00029   2.70513
    R7        2.63197   0.00020   0.00003  -0.00002   0.00001   2.63198
    R8        2.73883   0.00104  -0.00010   0.00128   0.00118   2.74001
    R9        2.73710   0.00064   0.00001   0.00065   0.00065   2.73775
   R10        2.66668   0.00056   0.00010   0.00088   0.00099   2.66767
   R11        2.72944  -0.00009   0.00006  -0.00022  -0.00015   2.72929
   R12        2.58709   0.00019   0.00005   0.00013   0.00018   2.58727
   R13        1.89001   0.00017   0.00002   0.00035   0.00037   1.89038
   R14        2.73132  -0.00034  -0.00005  -0.00034  -0.00038   2.73094
   R15        2.59803  -0.00008  -0.00002   0.00006   0.00004   2.59807
   R16        1.88273  -0.00001  -0.00003   0.00015   0.00011   1.88285
   R17        2.64153   0.00054   0.00001  -0.00077  -0.00075   2.64078
   R18        2.71806   0.00034   0.00001  -0.00003  -0.00002   2.71804
   R19        1.87853   0.00030  -0.00001  -0.00003  -0.00004   1.87849
   R20        2.90694  -0.00009   0.00005  -0.00034  -0.00029   2.90665
   R21        2.91766  -0.00024  -0.00002  -0.00006  -0.00008   2.91759
   R22        2.14700  -0.00006   0.00001  -0.00019  -0.00018   2.14682
   R23        2.91746   0.00008   0.00002   0.00013   0.00014   2.91761
   R24        2.94388   0.00045  -0.00003   0.00064   0.00061   2.94449
   R25        2.14542  -0.00003   0.00001  -0.00003  -0.00002   2.14541
   R26        2.87446  -0.00009  -0.00002   0.00002  -0.00001   2.87445
   R27        2.12585  -0.00004   0.00001  -0.00016  -0.00015   2.12570
   R28        2.11898  -0.00002   0.00002  -0.00008  -0.00005   2.11893
   R29        2.94884  -0.00017  -0.00008  -0.00024  -0.00032   2.94853
   R30        2.13366  -0.00004  -0.00001   0.00001   0.00000   2.13366
   R31        2.86713  -0.00010  -0.00002  -0.00017  -0.00019   2.86693
   R32        2.86169  -0.00009  -0.00006  -0.00004  -0.00010   2.86159
   R33        2.12816  -0.00006   0.00002  -0.00012  -0.00010   2.12807
   R34        2.91090  -0.00001   0.00001  -0.00002  -0.00001   2.91089
   R35        2.13921  -0.00010   0.00002  -0.00021  -0.00019   2.13902
   R36        2.81159  -0.00014  -0.00004  -0.00002  -0.00006   2.81154
   R37        2.12158  -0.00004   0.00000  -0.00007  -0.00007   2.12151
   R38        2.12196  -0.00008   0.00000  -0.00020  -0.00020   2.12176
   R39        2.88431   0.00023   0.00000   0.00016   0.00015   2.88447
   R40        2.13288  -0.00001   0.00002   0.00005   0.00006   2.13294
   R41        2.13707   0.00003  -0.00004   0.00010   0.00006   2.13713
   R42        2.88389  -0.00006   0.00001   0.00001   0.00001   2.88390
   R43        2.11476   0.00000   0.00000   0.00006   0.00006   2.11482
   R44        2.12315  -0.00002   0.00001  -0.00001   0.00000   2.12315
   R45        2.80927   0.00001   0.00000  -0.00005  -0.00005   2.80922
   R46        2.12207  -0.00003   0.00002  -0.00005  -0.00003   2.12203
   R47        2.12331  -0.00005   0.00001  -0.00011  -0.00010   2.12321
   R48        2.11014  -0.00003   0.00000  -0.00005  -0.00004   2.11010
   R49        2.11049  -0.00002   0.00000  -0.00002  -0.00002   2.11047
   R50        2.11124  -0.00004   0.00001  -0.00008  -0.00007   2.11117
   R51        2.11044  -0.00003   0.00000  -0.00002  -0.00001   2.11043
   R52        2.10893  -0.00003   0.00001  -0.00002  -0.00001   2.10892
   R53        2.11179  -0.00003   0.00000  -0.00003  -0.00003   2.11176
   R54        2.12914   0.00000   0.00001   0.00001   0.00002   2.12917
   R55        2.13442  -0.00005   0.00002  -0.00012  -0.00010   2.13432
   R56        2.64640  -0.00007   0.00000  -0.00009  -0.00009   2.64630
   R57        2.64627  -0.00002   0.00000   0.00006   0.00006   2.64633
   R58        2.64658   0.00002   0.00000   0.00004   0.00004   2.64662
   R59        2.64474  -0.00001   0.00000  -0.00003  -0.00002   2.64471
   R60        2.88780   0.00025   0.00001   0.00044   0.00045   2.88825
   R61        2.63326  -0.00001   0.00000   0.00001   0.00001   2.63327
   R62        2.07905  -0.00002   0.00001  -0.00005  -0.00005   2.07900
   R63        2.63524  -0.00002   0.00001  -0.00003  -0.00003   2.63521
   R64        2.08483  -0.00002   0.00000  -0.00001  -0.00001   2.08482
   R65        2.63301  -0.00001   0.00000  -0.00001   0.00000   2.63301
   R66        2.07913  -0.00001   0.00001  -0.00003  -0.00003   2.07910
   R67        2.63465   0.00000   0.00001   0.00001   0.00002   2.63467
   R68        2.07935  -0.00001   0.00001  -0.00003  -0.00002   2.07933
   R69        2.12381  -0.00002  -0.00001  -0.00010  -0.00012   2.12369
   R70        2.11699  -0.00002   0.00002  -0.00003  -0.00001   2.11698
   R71        2.63589   0.00000   0.00001   0.00000   0.00000   2.63589
   R72        2.07831  -0.00002   0.00001  -0.00003  -0.00003   2.07829
   R73        2.63517   0.00000   0.00000   0.00000   0.00000   2.63518
   R74        2.07910  -0.00002   0.00001  -0.00004  -0.00004   2.07906
   R75        2.07791  -0.00001   0.00001  -0.00001  -0.00001   2.07790
   R76        2.63635   0.00000   0.00000   0.00001   0.00001   2.63636
   R77        2.07852  -0.00002   0.00001  -0.00003  -0.00003   2.07850
   R78        2.63492  -0.00001   0.00000   0.00000   0.00000   2.63492
   R79        2.07829  -0.00002   0.00001  -0.00003  -0.00003   2.07827
   R80        2.07777  -0.00001   0.00001  -0.00003  -0.00002   2.07775
   R81        2.66069   0.00027  -0.00004   0.00023   0.00020   2.66088
   R82        2.65898   0.00001   0.00004  -0.00030  -0.00026   2.65871
   R83        2.64331  -0.00005  -0.00001  -0.00018  -0.00020   2.64312
   R84        2.79762   0.00002  -0.00004   0.00001  -0.00002   2.79759
   R85        2.64357   0.00018   0.00002   0.00030   0.00033   2.64390
   R86        2.79791   0.00009   0.00000   0.00010   0.00010   2.79801
   R87        2.63157   0.00013   0.00002   0.00026   0.00028   2.63184
   R88        2.07982   0.00000   0.00001   0.00000   0.00001   2.07983
   R89        2.63176  -0.00006   0.00000  -0.00014  -0.00014   2.63162
   R90        2.07992  -0.00001   0.00001  -0.00003  -0.00002   2.07990
   R91        2.11242  -0.00001   0.00000  -0.00003  -0.00002   2.11239
   R92        2.11725  -0.00002   0.00001  -0.00003  -0.00002   2.11723
   R93        2.11612  -0.00003  -0.00003  -0.00008  -0.00011   2.11602
   R94        2.11228  -0.00001   0.00001   0.00001   0.00002   2.11230
   R95        2.11477  -0.00002   0.00001  -0.00005  -0.00004   2.11473
   R96        2.11565  -0.00003   0.00001  -0.00007  -0.00006   2.11558
   R97        2.07905  -0.00002   0.00001  -0.00005  -0.00004   2.07901
    A1        1.88851  -0.00018   0.00001   0.00051   0.00052   1.88902
    A2        1.99656   0.00012   0.00008   0.00003   0.00011   1.99667
    A3        2.05731   0.00021   0.00010   0.00010   0.00018   2.05750
    A4        2.05071   0.00000  -0.00023  -0.00040  -0.00064   2.05007
    A5        2.08979  -0.00019  -0.00008   0.00008  -0.00001   2.08978
    A6        2.18279  -0.00006  -0.00014   0.00020   0.00007   2.18286
    A7        2.03616  -0.00004   0.00000   0.00005   0.00006   2.03622
    A8        2.06402   0.00009   0.00005  -0.00012  -0.00006   2.06397
    A9        2.13719   0.00005  -0.00007   0.00006  -0.00002   2.13717
   A10        2.02615  -0.00005   0.00017  -0.00052  -0.00035   2.02580
   A11        2.06332   0.00000   0.00021  -0.00019   0.00002   2.06334
   A12        2.10478   0.00010   0.00009   0.00128   0.00135   2.10613
   A13        2.00869   0.00004   0.00003   0.00201   0.00199   2.01068
   A14        2.06259  -0.00010   0.00001   0.00113   0.00109   2.06368
   A15        2.00561   0.00006  -0.00009   0.00016   0.00007   2.00568
   A16        1.94550  -0.00019  -0.00002  -0.00023  -0.00025   1.94525
   A17        1.87355   0.00005   0.00011  -0.00010   0.00001   1.87356
   A18        1.91101   0.00009   0.00002  -0.00027  -0.00025   1.91076
   A19        1.84735  -0.00005   0.00003   0.00034   0.00037   1.84773
   A20        1.87328   0.00004  -0.00004   0.00014   0.00009   1.87337
   A21        1.99321  -0.00011   0.00014   0.00004   0.00018   1.99339
   A22        1.92493   0.00026  -0.00015   0.00069   0.00055   1.92547
   A23        1.86907  -0.00002  -0.00011   0.00003  -0.00008   1.86899
   A24        1.90721  -0.00006   0.00005   0.00028   0.00033   1.90753
   A25        1.86743  -0.00002  -0.00002  -0.00063  -0.00066   1.86678
   A26        1.89887  -0.00006   0.00010  -0.00050  -0.00040   1.89847
   A27        2.00013   0.00006  -0.00006  -0.00019  -0.00025   1.99987
   A28        1.88412  -0.00005   0.00010  -0.00002   0.00008   1.88421
   A29        1.87801   0.00001  -0.00010   0.00009  -0.00001   1.87800
   A30        1.90727  -0.00005   0.00001   0.00012   0.00013   1.90740
   A31        1.90764   0.00000   0.00012  -0.00013  -0.00001   1.90763
   A32        1.88323   0.00003  -0.00008   0.00016   0.00007   1.88331
   A33        1.97374  -0.00037   0.00006   0.00000   0.00006   1.97380
   A34        1.91245   0.00012  -0.00070   0.00024  -0.00046   1.91199
   A35        1.81785   0.00011   0.00064   0.00008   0.00071   1.81856
   A36        1.93610   0.00026   0.00010   0.00010   0.00021   1.93631
   A37        1.92138   0.00003  -0.00004  -0.00018  -0.00021   1.92117
   A38        1.89768  -0.00016  -0.00004  -0.00026  -0.00030   1.89738
   A39        1.90477   0.00008  -0.00003   0.00018   0.00015   1.90492
   A40        1.94332  -0.00005   0.00000  -0.00015  -0.00015   1.94317
   A41        1.89394   0.00003   0.00007   0.00031   0.00038   1.89432
   A42        1.91300  -0.00005  -0.00003  -0.00023  -0.00026   1.91274
   A43        1.89547  -0.00003  -0.00002  -0.00010  -0.00012   1.89535
   A44        1.91263   0.00002   0.00001   0.00000   0.00001   1.91264
   A45        1.94251  -0.00017   0.00011  -0.00043  -0.00032   1.94219
   A46        1.95107  -0.00010   0.00014  -0.00016  -0.00002   1.95105
   A47        1.88242   0.00008  -0.00012   0.00017   0.00005   1.88247
   A48        1.91030   0.00027  -0.00007   0.00012   0.00005   1.91035
   A49        1.88187  -0.00004  -0.00018   0.00032   0.00014   1.88201
   A50        1.89354  -0.00005   0.00010   0.00001   0.00012   1.89366
   A51        1.96009  -0.00018  -0.00005  -0.00035  -0.00040   1.95969
   A52        1.91947  -0.00002   0.00000  -0.00016  -0.00016   1.91931
   A53        1.87691   0.00010   0.00000   0.00031   0.00031   1.87722
   A54        1.91745   0.00008   0.00007   0.00004   0.00012   1.91757
   A55        1.91268   0.00005  -0.00001   0.00017   0.00016   1.91284
   A56        1.87490  -0.00002  -0.00002   0.00001  -0.00001   1.87489
   A57        2.14983  -0.00014  -0.00009  -0.00014  -0.00023   2.14959
   A58        2.12151  -0.00007   0.00000  -0.00007  -0.00007   2.12144
   A59        2.01126   0.00020   0.00010   0.00013   0.00023   2.01148
   A60        1.99938   0.00012  -0.00002   0.00085   0.00083   2.00021
   A61        1.87357  -0.00002   0.00001  -0.00020  -0.00019   1.87338
   A62        1.90174   0.00004   0.00004   0.00037   0.00041   1.90215
   A63        1.90651  -0.00007  -0.00005  -0.00018  -0.00022   1.90628
   A64        1.89168  -0.00007   0.00003  -0.00050  -0.00047   1.89121
   A65        1.88825  -0.00001   0.00000  -0.00041  -0.00041   1.88784
   A66        1.93742   0.00011  -0.00010   0.00099   0.00089   1.93831
   A67        1.90000  -0.00001   0.00001  -0.00009  -0.00008   1.89992
   A68        1.91185  -0.00001   0.00010  -0.00011  -0.00001   1.91184
   A69        1.90590  -0.00006   0.00000  -0.00027  -0.00027   1.90564
   A70        1.92334  -0.00004   0.00002  -0.00044  -0.00042   1.92293
   A71        1.88438   0.00001  -0.00003  -0.00012  -0.00014   1.88424
   A72        1.96970  -0.00006   0.00002   0.00000   0.00002   1.96972
   A73        1.90858   0.00006  -0.00003  -0.00011  -0.00013   1.90845
   A74        1.87760   0.00004  -0.00007   0.00003  -0.00004   1.87756
   A75        1.92454  -0.00003   0.00015  -0.00007   0.00008   1.92462
   A76        1.90422   0.00001  -0.00004   0.00002  -0.00002   1.90420
   A77        1.87632  -0.00001  -0.00003   0.00014   0.00010   1.87642
   A78        2.11606   0.00006  -0.00011   0.00017   0.00005   2.11611
   A79        2.08034   0.00003   0.00008   0.00021   0.00028   2.08062
   A80        2.08383  -0.00008   0.00009  -0.00023  -0.00013   2.08371
   A81        1.93365  -0.00003   0.00000  -0.00011  -0.00011   1.93354
   A82        1.91426  -0.00002  -0.00002  -0.00006  -0.00008   1.91418
   A83        1.92993   0.00002   0.00002   0.00003   0.00004   1.92997
   A84        1.89237   0.00002  -0.00001   0.00010   0.00009   1.89246
   A85        1.90095   0.00001   0.00001   0.00006   0.00007   1.90102
   A86        1.89178   0.00000   0.00000  -0.00001  -0.00002   1.89176
   A87        1.93013   0.00000   0.00000   0.00005   0.00005   1.93018
   A88        1.94328  -0.00002  -0.00002   0.00003   0.00001   1.94328
   A89        1.91570   0.00000  -0.00001   0.00008   0.00007   1.91578
   A90        1.89252   0.00000   0.00001  -0.00010  -0.00009   1.89243
   A91        1.89316   0.00000   0.00001  -0.00002  -0.00001   1.89315
   A92        1.88780   0.00001   0.00001  -0.00005  -0.00003   1.88777
   A93        1.97558   0.00002   0.00001  -0.00043  -0.00041   1.97517
   A94        1.91036   0.00003   0.00001  -0.00021  -0.00020   1.91016
   A95        1.88294  -0.00002   0.00002   0.00056   0.00058   1.88352
   A96        1.90946  -0.00003  -0.00002  -0.00017  -0.00020   1.90926
   A97        1.90226   0.00001  -0.00001   0.00025   0.00024   1.90250
   A98        1.88079   0.00000  -0.00001   0.00004   0.00003   1.88082
   A99        2.09405   0.00007   0.00001   0.00013   0.00014   2.09420
   A100       2.10661  -0.00013  -0.00002  -0.00029  -0.00031   2.10630
   A101       2.08246   0.00006   0.00001   0.00016   0.00017   2.08263
   A102       2.09869  -0.00001   0.00000  -0.00009  -0.00010   2.09859
   A103       2.10293   0.00001   0.00002   0.00007   0.00009   2.10302
   A104       2.08147   0.00000  -0.00002   0.00003   0.00001   2.08148
   A105       2.13955  -0.00005  -0.00012   0.00015   0.00003   2.13959
   A106       2.06622   0.00001  -0.00013   0.00003  -0.00010   2.06611
   A107       2.07568   0.00004   0.00020  -0.00017   0.00003   2.07571
   A108       2.10070  -0.00003  -0.00001  -0.00009  -0.00010   2.10061
   A109       2.08998   0.00000  -0.00001  -0.00008  -0.00009   2.08989
   A110       2.09250   0.00003   0.00001   0.00017   0.00019   2.09269
   A111       2.09733  -0.00003   0.00000  -0.00011  -0.00011   2.09722
   A112       2.10097  -0.00005  -0.00003  -0.00021  -0.00023   2.10073
   A113       2.08488   0.00008   0.00003   0.00031   0.00034   2.08522
   A114       2.10009  -0.00001   0.00002  -0.00002   0.00000   2.10008
   A115       2.08879   0.00000  -0.00002  -0.00002  -0.00003   2.08875
   A116       2.09429   0.00000   0.00000   0.00004   0.00004   2.09433
   A117       2.09995   0.00000   0.00001  -0.00001   0.00000   2.09995
   A118       2.09154   0.00000  -0.00001  -0.00002  -0.00003   2.09151
   A119       2.09170   0.00000   0.00000   0.00003   0.00003   2.09173
   A120       1.93618   0.00018   0.00025  -0.00029  -0.00004   1.93614
   A121       1.86944  -0.00001  -0.00014   0.00041   0.00026   1.86971
   A122       1.95780  -0.00008   0.00011  -0.00030  -0.00019   1.95761
   A123       1.88363  -0.00009  -0.00014   0.00005  -0.00008   1.88355
   A124       1.89360  -0.00002  -0.00005  -0.00003  -0.00008   1.89352
   A125       1.92191   0.00002  -0.00004   0.00018   0.00014   1.92205
   A126       2.09599  -0.00001   0.00000  -0.00002  -0.00001   2.09598
   A127       2.09216   0.00001   0.00000   0.00007   0.00007   2.09223
   A128       2.09503   0.00000   0.00000  -0.00005  -0.00005   2.09498
   A129       2.09869  -0.00001  -0.00001  -0.00002  -0.00002   2.09867
   A130       2.08831   0.00001   0.00001   0.00000   0.00001   2.08833
   A131       2.09618   0.00001   0.00000   0.00001   0.00001   2.09619
   A132       2.09118   0.00002   0.00000   0.00007   0.00007   2.09126
   A133       2.09573  -0.00001   0.00000  -0.00008  -0.00008   2.09565
   A134       2.09627   0.00000   0.00000   0.00001   0.00001   2.09628
   A135       2.09677   0.00000   0.00000  -0.00001  -0.00001   2.09676
   A136       2.09183   0.00000   0.00000   0.00001   0.00001   2.09184
   A137       2.09459   0.00000   0.00000   0.00000   0.00000   2.09458
   A138       2.09691   0.00000   0.00000  -0.00001   0.00000   2.09691
   A139       2.09174   0.00000   0.00000   0.00002   0.00002   2.09176
   A140       2.09453   0.00000   0.00000  -0.00001  -0.00001   2.09452
   A141       2.09118   0.00001  -0.00001   0.00002   0.00001   2.09119
   A142       2.09572   0.00000   0.00000   0.00000   0.00000   2.09572
   A143       2.09628   0.00000   0.00000  -0.00002  -0.00001   2.09627
   A144       2.04739   0.00014  -0.00013  -0.00010  -0.00023   2.04716
   A145       2.11350  -0.00003   0.00014   0.00027   0.00041   2.11391
   A146       2.11800  -0.00011   0.00000  -0.00009  -0.00009   2.11791
   A147       2.06834   0.00003   0.00002   0.00008   0.00009   2.06843
   A148       2.11576   0.00012  -0.00006  -0.00007  -0.00014   2.11562
   A149       2.09907  -0.00015   0.00005   0.00000   0.00004   2.09911
   A150       2.06858   0.00005  -0.00002   0.00009   0.00007   2.06865
   A151       2.11965   0.00010   0.00008   0.00028   0.00037   2.12001
   A152       2.09491  -0.00015  -0.00007  -0.00037  -0.00044   2.09448
   A153       2.10630   0.00003   0.00000   0.00001   0.00001   2.10630
   A154       2.08361   0.00002   0.00000   0.00019   0.00019   2.08379
   A155       2.09328  -0.00006   0.00000  -0.00019  -0.00019   2.09309
   A156       2.10623   0.00001   0.00000  -0.00002  -0.00001   2.10621
   A157       2.08456  -0.00004  -0.00002  -0.00017  -0.00019   2.08437
   A158       2.09238   0.00004   0.00001   0.00019   0.00021   2.09258
   A159       1.93792  -0.00001   0.00001   0.00005   0.00006   1.93798
   A160       1.92059  -0.00001   0.00002  -0.00013  -0.00011   1.92048
   A161       1.92937   0.00003  -0.00007   0.00006  -0.00001   1.92936
   A162       1.88773   0.00002   0.00006   0.00029   0.00034   1.88808
   A163       1.89269  -0.00004  -0.00001  -0.00018  -0.00019   1.89250
   A164       1.89438   0.00002  -0.00001  -0.00008  -0.00010   1.89428
   A165       1.93739   0.00001  -0.00003   0.00007   0.00005   1.93743
   A166       1.92635   0.00001   0.00003  -0.00004  -0.00001   1.92633
   A167       1.92540   0.00001   0.00001   0.00000   0.00001   1.92541
   A168       1.89384  -0.00002  -0.00003  -0.00010  -0.00012   1.89372
   A169       1.88909  -0.00001  -0.00001  -0.00003  -0.00004   1.88905
   A170       1.89057   0.00001   0.00003   0.00009   0.00012   1.89069
   A171       2.09869  -0.00001  -0.00001  -0.00007  -0.00007   2.09862
   A172       2.09273  -0.00004   0.00000  -0.00016  -0.00016   2.09256
   A173       2.09176   0.00005   0.00001   0.00022   0.00023   2.09199
    D1        0.61839  -0.00003  -0.01307   0.00051  -0.01256   0.60583
    D2       -1.55131  -0.00020  -0.01272   0.00020  -0.01252  -1.56383
    D3        2.70420  -0.00013  -0.01268   0.00035  -0.01234   2.69187
    D4        2.37784   0.00009  -0.00033   0.00330   0.00297   2.38082
    D5       -1.85368   0.00007  -0.00044   0.00345   0.00301  -1.85067
    D6        0.25704   0.00004  -0.00051   0.00375   0.00324   0.26029
    D7       -2.13061  -0.00002  -0.00031   0.00112   0.00081  -2.12980
    D8        1.10923  -0.00004  -0.00042   0.00021  -0.00021   1.10902
    D9        0.92142   0.00008   0.00013   0.00185   0.00197   0.92339
   D10       -1.23417   0.00004   0.00008   0.00090   0.00098  -1.23320
   D11        2.98543  -0.00002   0.00011   0.00110   0.00121   2.98664
   D12       -2.65277   0.00008  -0.00050   0.00134   0.00085  -2.65193
   D13        1.47482   0.00004  -0.00055   0.00040  -0.00015   1.47467
   D14       -0.58876  -0.00002  -0.00052   0.00060   0.00008  -0.58867
   D15        2.58696   0.00008  -0.00219   0.00408   0.00189   2.58884
   D16       -1.57602   0.00006  -0.00226   0.00426   0.00200  -1.57402
   D17        0.46503   0.00006  -0.00224   0.00387   0.00163   0.46666
   D18       -0.11206   0.00003  -0.00151   0.00472   0.00320  -0.10886
   D19        2.00815   0.00000  -0.00159   0.00490   0.00331   2.01146
   D20       -2.23399   0.00001  -0.00156   0.00451   0.00294  -2.23105
   D21        0.08280  -0.00011   0.00091  -0.00162  -0.00071   0.08209
   D22        3.14126   0.00003   0.00163   0.00061   0.00223  -3.13970
   D23        2.78346  -0.00001   0.00032  -0.00214  -0.00181   2.78165
   D24       -0.44127   0.00013   0.00103   0.00010   0.00113  -0.44014
   D25       -0.85820   0.00009  -0.00214   0.00202  -0.00011  -0.85831
   D26       -3.04530   0.00008  -0.00207   0.00245   0.00038  -3.04491
   D27        1.19113   0.00010  -0.00207   0.00248   0.00040   1.19154
   D28        2.30591   0.00004   0.00047  -0.00455  -0.00408   2.30183
   D29        0.11881   0.00002   0.00054  -0.00412  -0.00358   0.11523
   D30       -1.92795   0.00005   0.00054  -0.00410  -0.00356  -1.93151
   D31        0.09362   0.00009   0.00106  -0.00013   0.00093   0.09455
   D32       -3.08441   0.00003   0.00125  -0.00260  -0.00135  -3.08576
   D33       -3.07081   0.00014  -0.00159   0.00654   0.00496  -3.06586
   D34        0.03435   0.00008  -0.00140   0.00407   0.00267   0.03702
   D35       -1.76599   0.00007   0.00033  -0.00337  -0.00304  -1.76903
   D36        2.37507  -0.00009   0.00023  -0.00310  -0.00287   2.37220
   D37        0.29491  -0.00003   0.00010  -0.00313  -0.00303   0.29188
   D38        1.01392   0.00006   0.00134  -0.00545  -0.00411   1.00982
   D39       -1.12821  -0.00010   0.00124  -0.00518  -0.00393  -1.13214
   D40        3.07482  -0.00004   0.00111  -0.00521  -0.00409   3.07073
   D41       -0.15833   0.00005  -0.00001   0.00034   0.00033  -0.15800
   D42        3.04758   0.00002   0.00097   0.00015   0.00111   3.04870
   D43       -2.93094   0.00007  -0.00104   0.00252   0.00149  -2.92946
   D44        0.27497   0.00004  -0.00006   0.00233   0.00227   0.27724
   D45       -2.90007   0.00004   0.00083  -0.00236  -0.00154  -2.90160
   D46        0.32295  -0.00010   0.00014  -0.00454  -0.00441   0.31854
   D47       -0.24796   0.00011   0.00095   0.00736   0.00831  -0.23965
   D48        2.97506  -0.00004   0.00026   0.00517   0.00544   2.98049
   D49        0.33209   0.00004  -0.00062   0.00364   0.00303   0.33512
   D50        2.46699   0.00004  -0.00064   0.00298   0.00234   2.46934
   D51       -1.77421   0.00004  -0.00063   0.00322   0.00259  -1.77161
   D52       -2.30536  -0.00006  -0.00075  -0.00660  -0.00735  -2.31272
   D53       -0.17046  -0.00007  -0.00077  -0.00727  -0.00804  -0.17849
   D54        1.87153  -0.00007  -0.00076  -0.00703  -0.00779   1.86374
   D55       -0.90148   0.00011   0.00006  -0.00128  -0.00123  -0.90270
   D56        1.22795   0.00005   0.00011  -0.00127  -0.00116   1.22679
   D57       -3.02686   0.00007   0.00001  -0.00106  -0.00104  -3.02791
   D58        1.30347  -0.00001  -0.00003  -0.00169  -0.00172   1.30175
   D59       -2.85029  -0.00007   0.00002  -0.00168  -0.00166  -2.85194
   D60       -0.82192  -0.00006  -0.00007  -0.00146  -0.00153  -0.82345
   D61       -2.96559   0.00005  -0.00005  -0.00148  -0.00153  -2.96712
   D62       -0.83616  -0.00001   0.00000  -0.00147  -0.00147  -0.83763
   D63        1.19221   0.00001  -0.00010  -0.00125  -0.00135   1.19086
   D64       -1.07989   0.00004  -0.00049   0.00000  -0.00049  -1.08039
   D65        1.06118  -0.00001  -0.00043  -0.00030  -0.00073   1.06045
   D66        3.09766   0.00002  -0.00045  -0.00020  -0.00065   3.09701
   D67        2.96454   0.00002  -0.00037   0.00017  -0.00020   2.96433
   D68       -1.17757  -0.00002  -0.00031  -0.00013  -0.00044  -1.17801
   D69        0.85890   0.00000  -0.00033  -0.00003  -0.00036   0.85855
   D70        0.96703   0.00002  -0.00040  -0.00017  -0.00056   0.96646
   D71        3.10810  -0.00002  -0.00034  -0.00046  -0.00080   3.10730
   D72       -1.13860   0.00000  -0.00035  -0.00037  -0.00072  -1.13933
   D73        3.04814  -0.00013  -0.00021   0.00069   0.00047   3.04862
   D74        0.93408  -0.00009  -0.00016   0.00096   0.00080   0.93488
   D75       -1.17238  -0.00010  -0.00022   0.00085   0.00063  -1.17174
   D76       -1.06992   0.00009  -0.00027   0.00185   0.00158  -1.06835
   D77        3.09920   0.00013  -0.00022   0.00212   0.00190   3.10110
   D78        0.99274   0.00012  -0.00027   0.00201   0.00174   0.99448
   D79        0.98319  -0.00003  -0.00015   0.00105   0.00091   0.98410
   D80       -1.13087   0.00001  -0.00009   0.00133   0.00123  -1.12964
   D81        3.04586   0.00000  -0.00015   0.00121   0.00107   3.04693
   D82        1.71527  -0.00009  -0.00039  -0.00484  -0.00523   1.71004
   D83       -1.39054  -0.00003  -0.00057  -0.00241  -0.00298  -1.39352
   D84       -0.48947  -0.00010  -0.00050  -0.00558  -0.00608  -0.49555
   D85        2.68791  -0.00003  -0.00068  -0.00315  -0.00383   2.68408
   D86       -2.52272   0.00000  -0.00055  -0.00470  -0.00525  -2.52796
   D87        0.65466   0.00007  -0.00073  -0.00227  -0.00300   0.65166
   D88        1.39944  -0.00009   0.00431  -0.00073   0.00358   1.40302
   D89       -2.72701  -0.00001   0.00351  -0.00034   0.00318  -2.72383
   D90       -0.62577  -0.00002   0.00350  -0.00071   0.00279  -0.62298
   D91       -0.71734  -0.00003   0.00421  -0.00066   0.00355  -0.71379
   D92        1.43940   0.00005   0.00341  -0.00027   0.00314   1.44254
   D93       -2.74255   0.00004   0.00340  -0.00064   0.00276  -2.73979
   D94       -2.77461  -0.00004   0.00423  -0.00084   0.00339  -2.77122
   D95       -0.61788   0.00004   0.00343  -0.00045   0.00298  -0.61489
   D96        1.48336   0.00003   0.00343  -0.00082   0.00260   1.48596
   D97       -1.07481  -0.00010  -0.00228   0.00157  -0.00071  -1.07552
   D98        1.09059  -0.00015  -0.00207   0.00116  -0.00091   1.08967
   D99       -3.13605  -0.00007  -0.00209   0.00142  -0.00067  -3.13671
   D100       3.01689   0.00011  -0.00192   0.00132  -0.00060   3.01630
   D101      -1.10089   0.00006  -0.00171   0.00091  -0.00080  -1.10170
   D102       0.95566   0.00013  -0.00173   0.00117  -0.00056   0.95510
   D103       0.90165   0.00001  -0.00191   0.00165  -0.00027   0.90138
   D104       3.06705  -0.00004  -0.00170   0.00123  -0.00047   3.06658
   D105      -1.15959   0.00003  -0.00172   0.00150  -0.00023  -1.15981
   D106      -1.05913   0.00003  -0.00002  -0.00131  -0.00132  -1.06045
   D107       3.13563   0.00003   0.00000  -0.00132  -0.00132   3.13431
   D108       1.05026   0.00003   0.00001  -0.00129  -0.00128   1.04898
   D109       1.07330  -0.00001  -0.00005  -0.00153  -0.00158   1.07172
   D110      -1.01513  -0.00001  -0.00003  -0.00155  -0.00158  -1.01671
   D111      -3.10050  -0.00001  -0.00002  -0.00151  -0.00153  -3.10204
   D112      -3.12083  -0.00004  -0.00007  -0.00173  -0.00180  -3.12263
   D113       1.07392  -0.00003  -0.00005  -0.00174  -0.00179   1.07213
   D114      -1.01145  -0.00003  -0.00004  -0.00171  -0.00175  -1.01320
   D115       0.91331   0.00000  -0.00025  -0.00182  -0.00207   0.91124
   D116      -1.19199   0.00000  -0.00025  -0.00174  -0.00199  -1.19399
   D117       3.00143   0.00000  -0.00025  -0.00176  -0.00201   2.99942
   D118      -1.19593  -0.00004  -0.00020  -0.00179  -0.00198  -1.19792
   D119       2.98195  -0.00003  -0.00020  -0.00171  -0.00191   2.98004
   D120       0.89219  -0.00003  -0.00019  -0.00173  -0.00192   0.89027
   D121       3.00875   0.00002  -0.00016  -0.00152  -0.00169   3.00706
   D122       0.90345   0.00002  -0.00016  -0.00145  -0.00161   0.90184
   D123      -1.18631   0.00002  -0.00016  -0.00146  -0.00162  -1.18794
   D124      -1.03767  -0.00002  -0.00027   0.00100   0.00072  -1.03695
   D125       1.11131  -0.00006  -0.00009   0.00083   0.00073   1.11204
   D126      -3.13912  -0.00002  -0.00019   0.00095   0.00076  -3.13836
   D127       3.08514   0.00007  -0.00047   0.00157   0.00110   3.08624
   D128      -1.04907   0.00003  -0.00028   0.00140   0.00112  -1.04795
   D129       0.98369   0.00007  -0.00038   0.00152   0.00114   0.98483
   D130       1.03590  -0.00001  -0.00027   0.00111   0.00085   1.03675
   D131      -3.09831  -0.00005  -0.00009   0.00094   0.00086  -3.09745
   D132      -1.06555  -0.00001  -0.00018   0.00107   0.00089  -1.06467
   D133      -1.55051  -0.00007   0.00010  -0.00026  -0.00016  -1.55067
   D134       1.60269  -0.00008   0.00010  -0.00030  -0.00019   1.60249
   D135       2.59047   0.00003   0.00008   0.00015   0.00023   2.59070
   D136      -0.53953   0.00002   0.00008   0.00011   0.00020  -0.53933
   D137       0.53436  -0.00003   0.00006   0.00002   0.00008   0.53444
   D138      -2.59564  -0.00004   0.00007  -0.00002   0.00005  -2.59559
   D139       0.72955  -0.00001   0.00096  -0.00493  -0.00397   0.72558
   D140       2.82794  -0.00003   0.00091  -0.00471  -0.00380   2.82414
   D141      -1.39838  -0.00003   0.00094  -0.00496  -0.00402  -1.40241
   D142      -1.37251  -0.00002   0.00101  -0.00512  -0.00411  -1.37663
   D143       0.72588  -0.00003   0.00095  -0.00490  -0.00394   0.72193
   D144       2.78274  -0.00003   0.00098  -0.00515  -0.00417   2.77857
   D145       2.85697   0.00007   0.00102  -0.00425  -0.00324   2.85374
   D146      -1.32782   0.00006   0.00096  -0.00403  -0.00307  -1.33089
   D147       0.72904   0.00005   0.00099  -0.00428  -0.00329   0.72575
   D148      -0.83705   0.00002   0.00011   0.00105   0.00116  -0.83589
   D149      -2.97246  -0.00001   0.00011   0.00173   0.00185  -2.97061
   D150       1.25825   0.00001   0.00014   0.00165   0.00179   1.26004
   D151      -2.93193   0.00000   0.00017   0.00071   0.00088  -2.93106
   D152       1.21584  -0.00003   0.00017   0.00140   0.00157   1.21741
   D153      -0.83664  -0.00001   0.00019   0.00131   0.00151  -0.83513
   D154       1.28416   0.00005   0.00019   0.00128   0.00146   1.28562
   D155      -0.85125   0.00002   0.00019   0.00196   0.00215  -0.84910
   D156      -2.90372   0.00004   0.00022   0.00188   0.00209  -2.90163
   D157      -1.25291  -0.00001   0.00073  -0.00139  -0.00066  -1.25357
   D158       1.90354  -0.00001   0.00086  -0.00139  -0.00054   1.90300
   D159       2.89020  -0.00002   0.00064  -0.00120  -0.00056   2.88964
   D160      -0.23654  -0.00002   0.00077  -0.00120  -0.00043  -0.23697
   D161       0.83324   0.00000   0.00062  -0.00134  -0.00072   0.83252
   D162      -2.29350   0.00000   0.00075  -0.00134  -0.00059  -2.29409
   D163      -3.13023   0.00000   0.00000   0.00023   0.00023  -3.13000
   D164       0.00991   0.00000  -0.00005   0.00026   0.00021   0.01012
   D165      -0.00008   0.00001  -0.00001   0.00027   0.00026   0.00018
   D166       3.14006   0.00001  -0.00006   0.00030   0.00024   3.14030
   D167       3.13142  -0.00001   0.00001  -0.00041  -0.00040   3.13102
   D168      -0.01553  -0.00003  -0.00002  -0.00080  -0.00082  -0.01635
   D169       0.00135  -0.00002   0.00002  -0.00045  -0.00043   0.00092
   D170       3.13759  -0.00004  -0.00001  -0.00084  -0.00085   3.13673
   D171      -3.12589   0.00000   0.00006   0.00012   0.00019  -3.12571
   D172       0.02231   0.00000   0.00007   0.00016   0.00024   0.02255
   D173       0.00103   0.00000  -0.00006   0.00012   0.00006   0.00109
   D174      -3.13395   0.00000  -0.00005   0.00016   0.00011  -3.13384
   D175       3.12423   0.00000  -0.00007  -0.00005  -0.00012   3.12411
   D176      -0.02029   0.00000   0.00003  -0.00007  -0.00004  -0.02034
   D177      -0.00265   0.00000   0.00006  -0.00004   0.00001  -0.00264
   D178       3.13601   0.00000   0.00015  -0.00007   0.00008   3.13609
   D179       2.71047  -0.00001  -0.00130  -0.00307  -0.00436   2.70611
   D180       0.66749  -0.00005  -0.00118  -0.00343  -0.00461   0.66287
   D181      -1.41468   0.00000  -0.00103  -0.00365  -0.00469  -1.41936
   D182      -0.49272   0.00001  -0.00223  -0.00288  -0.00511  -0.49783
   D183      -2.53570  -0.00002  -0.00212  -0.00324  -0.00536  -2.54106
   D184       1.66532   0.00002  -0.00197  -0.00346  -0.00543   1.65989
   D185      -0.00054   0.00000   0.00000   0.00006   0.00005  -0.00049
   D186       3.14042   0.00000  -0.00004   0.00007   0.00003   3.14045
   D187      -3.14068   0.00000   0.00004   0.00003   0.00007  -3.14060
   D188       0.00028   0.00000   0.00001   0.00004   0.00005   0.00034
   D189      -0.00201   0.00001  -0.00001   0.00031   0.00030  -0.00172
   D190       3.13721   0.00001  -0.00003   0.00036   0.00033   3.13755
   D191      -3.13830   0.00003   0.00002   0.00070   0.00072  -3.13758
   D192       0.00092   0.00003   0.00000   0.00075   0.00075   0.00168
   D193       0.00141   0.00000   0.00002  -0.00009  -0.00007   0.00134
   D194      -3.13810   0.00000   0.00000  -0.00010  -0.00010  -3.13819
   D195       3.13636   0.00000   0.00002  -0.00013  -0.00012   3.13625
   D196      -0.00314   0.00000   0.00000  -0.00014  -0.00015  -0.00328
   D197       0.00185   0.00000  -0.00001  -0.00007  -0.00008   0.00178
   D198      -3.14031   0.00000   0.00001  -0.00011  -0.00010  -3.14041
   D199      -3.13681   0.00000  -0.00011  -0.00004  -0.00015  -3.13696
   D200       0.00422   0.00000  -0.00009  -0.00009  -0.00018   0.00404
   D201      -0.00011  -0.00001   0.00001  -0.00020  -0.00019  -0.00031
   D202       3.14158  -0.00001   0.00000  -0.00018  -0.00019   3.14139
   D203      -3.14107   0.00000   0.00004  -0.00021  -0.00017  -3.14124
   D204       0.00062   0.00000   0.00003  -0.00020  -0.00017   0.00045
   D205       0.00139   0.00000   0.00000   0.00002   0.00002   0.00141
   D206      -3.14030   0.00000   0.00001   0.00000   0.00001  -3.14029
   D207      -3.13783   0.00000   0.00002  -0.00004  -0.00002  -3.13785
   D208       0.00367   0.00000   0.00003  -0.00006  -0.00002   0.00365
   D209      -0.00222   0.00000   0.00002  -0.00002   0.00000  -0.00222
   D210       3.14047   0.00000  -0.00002  -0.00003  -0.00005   3.14042
   D211       3.13728   0.00000   0.00004  -0.00001   0.00003   3.13730
   D212      -0.00322   0.00000   0.00001  -0.00003  -0.00002  -0.00324
   D213       0.00060   0.00000  -0.00003   0.00010   0.00007   0.00067
   D214       3.14109   0.00000   0.00001   0.00011   0.00012   3.14121
   D215      -3.14042   0.00000  -0.00005   0.00014   0.00010  -3.14033
   D216       0.00007   0.00000  -0.00001   0.00016   0.00015   0.00022
   D217      -3.05939  -0.00004  -0.00033  -0.00079  -0.00111  -3.06050
   D218       0.07449  -0.00004  -0.00052  -0.00055  -0.00107   0.07342
   D219      -0.01631  -0.00001  -0.00021   0.00015  -0.00006  -0.01637
   D220       3.11756  -0.00002  -0.00040   0.00039  -0.00001   3.11755
   D221       3.06289   0.00005   0.00029   0.00101   0.00130   3.06419
   D222      -0.06870   0.00004   0.00025   0.00080   0.00105  -0.06764
   D223       0.02354   0.00001   0.00018   0.00006   0.00024   0.02378
   D224      -3.10805   0.00001   0.00014  -0.00015   0.00000  -3.10805
   D225      -0.00231   0.00001   0.00009  -0.00021  -0.00012  -0.00243
   D226       3.14112  -0.00001  -0.00005  -0.00042  -0.00047   3.14065
   D227      -3.13626   0.00001   0.00028  -0.00045  -0.00016  -3.13642
   D228       0.00716   0.00000   0.00014  -0.00065  -0.00051   0.00665
   D229      -2.83783   0.00001   0.00008  -0.00319  -0.00312  -2.84095
   D230       1.35590   0.00000  -0.00002  -0.00350  -0.00352   1.35239
   D231      -0.73638  -0.00004   0.00003  -0.00335  -0.00332  -0.73970
   D232       0.29591   0.00000  -0.00012  -0.00295  -0.00307   0.29284
   D233      -1.79354   0.00000  -0.00021  -0.00326  -0.00347  -1.79701
   D234       2.39736  -0.00004  -0.00017  -0.00311  -0.00328   2.39409
   D235      -0.01233  -0.00001  -0.00004  -0.00021  -0.00025  -0.01258
   D236       3.13686  -0.00001  -0.00004  -0.00055  -0.00059   3.13628
   D237       3.11941   0.00000   0.00000   0.00000   0.00000   3.11940
   D238      -0.01458  -0.00001   0.00000  -0.00034  -0.00034  -0.01493
   D239       2.81894   0.00000  -0.00014   0.00074   0.00060   2.81954
   D240       0.71841   0.00001  -0.00010   0.00084   0.00074   0.71915
   D241      -1.37029   0.00000  -0.00016   0.00075   0.00059  -1.36970
   D242      -0.31250   0.00000  -0.00017   0.00053   0.00036  -0.31215
   D243      -2.41303   0.00001  -0.00014   0.00063   0.00049  -2.41255
   D244       1.78145  -0.00001  -0.00020   0.00054   0.00034   1.78179
   D245       0.01328   0.00000   0.00005   0.00007   0.00011   0.01339
   D246      -3.13378   0.00000  -0.00006   0.00016   0.00011  -3.13367
   D247      -3.13015   0.00002   0.00019   0.00027   0.00046  -3.12969
   D248       0.00597   0.00001   0.00009   0.00037   0.00046   0.00643
   D249      -0.00578   0.00000  -0.00007   0.00015   0.00008  -0.00570
   D250       3.14128   0.00000   0.00003   0.00005   0.00008   3.14136
   D251       3.12818   0.00001  -0.00007   0.00049   0.00041   3.12859
   D252      -0.00795   0.00001   0.00003   0.00039   0.00042  -0.00753
         Item               Value     Threshold  Converged?
 Maximum Force            0.001039     0.000450     NO 
 RMS     Force            0.000098     0.000300     YES
 Maximum Displacement     0.041598     0.001800     NO 
 RMS     Displacement     0.008716     0.001200     NO 
 Predicted change in Energy=-7.759624D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.254170   -0.013153   -0.918911
      2          8           0       -2.643202    0.218208   -2.477249
      3          8           0       -3.529179   -2.162941    1.277790
      4          8           0        2.344712    2.309695    2.258067
      5          8           0        3.460129   -0.994119    1.598658
      6          7           0       -2.743577   -2.637253   -0.864258
      7          7           0       -3.208582    0.394944   -0.249659
      8          7           0        2.132677    1.086013    0.319693
      9          7           0       -1.769264   -3.626802    1.124025
     10          6           0       -2.804025    1.766070   -0.044045
     11          6           0       -3.719171   -1.722249   -1.424020
     12          6           0       -1.417438    2.123755   -0.605556
     13          6           0       -0.298204    1.190421   -0.169750
     14          6           0       -4.202364   -2.100707   -2.840713
     15          6           0        1.086464    1.905281   -0.248376
     16          6           0       -2.871787    2.157159    1.447983
     17          6           0       -3.151113   -0.271475   -1.444267
     18          6           0       -1.564508   -2.935465   -1.651509
     19          6           0       -0.308639   -3.220504   -0.832105
     20          6           0        1.386648    2.282728   -1.711311
     21          6           0       -2.695900   -2.758025    0.541430
     22          6           0       -5.308313   -1.150410   -3.259576
     23          6           0       -4.712884   -3.525611   -2.886359
     24          6           0       -0.630115   -4.091617    0.379001
     25          6           0       -4.252962    2.064583    1.993268
     26          6           0        2.658342    3.037373   -1.863659
     27          6           0        2.634946    1.300941    1.581324
     28          6           0       -5.111337    3.168337    1.916217
     29          6           0       -4.704623    0.885409    2.598754
     30          6           0        2.747884    4.364473   -1.425173
     31          6           0        3.772614    2.437905   -2.461739
     32          6           0        3.652766    0.312762    2.150134
     33          6           0       -6.401799    3.094563    2.436812
     34          6           0       -5.997115    0.814738    3.117489
     35          6           0       -6.846908    1.917548    3.038585
     36          6           0        3.933121    5.079508   -1.584249
     37          6           0        4.957023    3.155845   -2.621589
     38          6           0        5.039421    4.477134   -2.183873
     39          6           0        4.636360   -1.641210    1.227719
     40          6           0        4.754605   -2.045855   -0.115771
     41          6           0        5.611272   -1.981829    2.183218
     42          6           0        5.880643   -2.784279   -0.494011
     43          6           0        6.728375   -2.713751    1.766291
     44          6           0        3.712137   -1.711573   -1.112348
     45          6           0        5.468861   -1.593716    3.604973
     46          6           0        6.863553   -3.108806    0.437770
     47          1           0       -3.543802    2.424589   -0.600540
     48          1           0       -4.629126   -1.748917   -0.745656
     49          1           0       -1.486871    2.121745   -1.728281
     50          1           0       -1.177740    3.168640   -0.276854
     51          1           0       -0.469832    0.849111    0.892739
     52          1           0       -3.340023   -1.985579   -3.555744
     53          1           0        1.020606    2.856463    0.361668
     54          1           0       -3.571302   -0.090312    0.546363
     55          1           0       -2.180716    1.505864    2.046807
     56          1           0       -2.501163    3.213140    1.538490
     57          1           0       -1.804503   -3.835468   -2.288977
     58          1           0       -1.350896   -2.063298   -2.339021
     59          1           0        0.433434   -3.751204   -1.480257
     60          1           0        0.151922   -2.250799   -0.500655
     61          1           0        1.409211    1.351616   -2.338605
     62          1           0        0.535919    2.917729   -2.079285
     63          1           0       -6.176733   -1.220696   -2.561196
     64          1           0       -5.659468   -1.411679   -4.287049
     65          1           0       -4.937197   -0.096731   -3.271244
     66          1           0       -5.473693   -3.696047   -2.086771
     67          1           0       -3.883402   -4.258917   -2.746151
     68          1           0       -5.189927   -3.724574   -3.877139
     69          1           0        0.268687   -4.136134    1.056968
     70          1           0       -0.849572   -5.142553    0.028300
     71          1           0        2.253680    0.185171   -0.088442
     72          1           0       -1.689104   -3.559304    2.112541
     73          1           0       -0.516550    0.186860   -1.829251
     74          1           0       -4.763158    4.098530    1.443077
     75          1           0       -4.044321    0.004050    2.664646
     76          1           0        1.878422    4.840148   -0.947426
     77          1           0        3.714373    1.394103   -2.804982
     78          1           0        3.476789    0.234002    3.257282
     79          1           0        4.681735    0.708201    1.950565
     80          1           0       -7.068955    3.966544    2.372976
     81          1           0       -6.344590   -0.117094    3.587989
     82          1           0       -7.865200    1.859741    3.449453
     83          1           0        3.995855    6.120302   -1.234135
     84          1           0        5.827589    2.677516   -3.093619
     85          1           0        5.973877    5.042642   -2.309912
     86          1           0        5.987336   -3.108815   -1.540247
     87          1           0        7.502627   -2.983862    2.500440
     88          1           0        3.804938   -2.355327   -2.021475
     89          1           0        3.813430   -0.641850   -1.429694
     90          1           0        2.690938   -1.858575   -0.677171
     91          1           0        6.133800   -2.211387    4.257484
     92          1           0        4.411107   -1.732979    3.942711
     93          1           0        5.743846   -0.517378    3.743528
     94          1           0        7.747639   -3.683793    0.124498
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0836020      0.0417544      0.0367198
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3251.6668764086 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247886459451     A.U. after   12 cycles
             Convg  =    0.6857D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003182   -0.000006293   -0.000094926
      2        8           0.000049396    0.000063935    0.000020772
      3        8           0.000001250   -0.000023733    0.000006737
      4        8           0.000020280    0.000090031    0.000087286
      5        8          -0.000125382   -0.000018486    0.000032380
      6        7           0.000065100    0.000040307    0.000123348
      7        7          -0.000074543    0.000143224   -0.000006598
      8        7           0.000050055    0.000036759   -0.000009887
      9        7           0.000163189   -0.000156902    0.000004813
     10        6          -0.000100495    0.000003577   -0.000001664
     11        6          -0.000187878    0.000016232    0.000036041
     12        6           0.000030137    0.000020304    0.000059781
     13        6           0.000181154   -0.000132737   -0.000050471
     14        6           0.000046884   -0.000033697   -0.000115190
     15        6          -0.000015280    0.000019302    0.000026887
     16        6          -0.000009877    0.000023967    0.000011675
     17        6           0.000009558   -0.000086318   -0.000034693
     18        6          -0.000002154   -0.000033750    0.000025358
     19        6           0.000068045    0.000086624   -0.000026680
     20        6           0.000013756    0.000022420   -0.000029227
     21        6          -0.000393070    0.000106357   -0.000036764
     22        6          -0.000012130   -0.000013570    0.000014607
     23        6           0.000011481    0.000016199    0.000000105
     24        6           0.000076729   -0.000098188    0.000127566
     25        6          -0.000016757   -0.000037212    0.000010126
     26        6           0.000030147   -0.000032738    0.000012943
     27        6          -0.000086719   -0.000123854   -0.000067820
     28        6           0.000020849   -0.000008768   -0.000000234
     29        6           0.000027858    0.000029342    0.000031326
     30        6           0.000000164   -0.000013132   -0.000020405
     31        6          -0.000002433    0.000002316    0.000007557
     32        6           0.000043403    0.000000054   -0.000089931
     33        6          -0.000004346    0.000010595   -0.000002417
     34        6           0.000010885   -0.000008652    0.000006557
     35        6          -0.000007989   -0.000008428    0.000008012
     36        6          -0.000005625    0.000007372   -0.000002764
     37        6           0.000002742   -0.000005519   -0.000004091
     38        6          -0.000000423    0.000002266    0.000011392
     39        6           0.000055541    0.000056256   -0.000121531
     40        6           0.000078003   -0.000072241    0.000125793
     41        6          -0.000106616    0.000016964    0.000004107
     42        6          -0.000117310    0.000016537    0.000049446
     43        6           0.000087701   -0.000060123    0.000089025
     44        6          -0.000032831   -0.000055234    0.000014942
     45        6           0.000033281    0.000023110   -0.000038089
     46        6           0.000089277    0.000024764   -0.000093349
     47        1           0.000017713    0.000002633   -0.000005489
     48        1           0.000028581   -0.000015969    0.000019620
     49        1           0.000009260    0.000004880    0.000034407
     50        1           0.000005094   -0.000005912   -0.000003305
     51        1          -0.000007213   -0.000036265    0.000026133
     52        1          -0.000009665    0.000038751    0.000013693
     53        1          -0.000002412    0.000030064    0.000026936
     54        1           0.000027467   -0.000003000   -0.000034441
     55        1          -0.000005066   -0.000001548    0.000014659
     56        1           0.000001406    0.000019440    0.000012351
     57        1          -0.000029437   -0.000010173   -0.000015344
     58        1           0.000010864   -0.000019022    0.000024410
     59        1           0.000009262    0.000015140   -0.000011255
     60        1           0.000012367   -0.000004801   -0.000005575
     61        1          -0.000005525   -0.000047790   -0.000005274
     62        1           0.000009924    0.000000761    0.000012698
     63        1           0.000007855   -0.000009164    0.000003490
     64        1           0.000003588   -0.000012398   -0.000005704
     65        1          -0.000001851    0.000012594    0.000005732
     66        1           0.000007213   -0.000014507    0.000002458
     67        1          -0.000004145   -0.000024706   -0.000032501
     68        1           0.000004246    0.000004038   -0.000021891
     69        1           0.000002475   -0.000013148   -0.000000968
     70        1           0.000004608   -0.000006372   -0.000035133
     71        1          -0.000021000    0.000093972   -0.000036563
     72        1           0.000118488    0.000156099   -0.000105854
     73        1          -0.000138954    0.000008310   -0.000060252
     74        1           0.000003237    0.000008316    0.000000430
     75        1          -0.000020944   -0.000026951    0.000009769
     76        1           0.000000546   -0.000008098    0.000005578
     77        1           0.000007959    0.000005002   -0.000012518
     78        1          -0.000003691   -0.000025823   -0.000013872
     79        1          -0.000013611    0.000013936    0.000039887
     80        1           0.000009465   -0.000000127    0.000006667
     81        1          -0.000004839   -0.000005349   -0.000013284
     82        1           0.000007865   -0.000006065   -0.000004692
     83        1           0.000004840    0.000002198    0.000006478
     84        1          -0.000003995    0.000006656   -0.000005325
     85        1          -0.000000659    0.000008039   -0.000000310
     86        1           0.000029757   -0.000002834   -0.000006338
     87        1          -0.000019689    0.000006761   -0.000014944
     88        1          -0.000003923    0.000003430   -0.000007095
     89        1           0.000030863   -0.000002450    0.000031181
     90        1          -0.000010976    0.000021768    0.000029599
     91        1          -0.000014773    0.000000635    0.000002736
     92        1           0.000006411   -0.000007199    0.000000443
     93        1           0.000004875    0.000004052    0.000008498
     94        1          -0.000025690   -0.000007038    0.000018225
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000393070 RMS     0.000052706

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000356472 RMS     0.000048743
 Search for a local minimum.
 Step number  36 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36
 DE= -1.03D-05 DEPred=-7.76D-06 R= 1.32D+00
 SS=  1.41D+00  RLast= 4.18D-02 DXNew= 2.0928D+00 1.2540D-01
 Trust test= 1.32D+00 RLast= 4.18D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00177   0.00179   0.00210   0.00224   0.00237
     Eigenvalues ---    0.00261   0.00296   0.00314   0.00355   0.00403
     Eigenvalues ---    0.00459   0.00482   0.00490   0.00537   0.00574
     Eigenvalues ---    0.00616   0.00647   0.00726   0.00818   0.00995
     Eigenvalues ---    0.01224   0.01321   0.01397   0.01437   0.01453
     Eigenvalues ---    0.01481   0.01494   0.01572   0.01606   0.01734
     Eigenvalues ---    0.02004   0.02053   0.02087   0.02113   0.02125
     Eigenvalues ---    0.02142   0.02151   0.02154   0.02157   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02178   0.02179   0.02180   0.02185   0.02186
     Eigenvalues ---    0.02188   0.02189   0.02279   0.02303   0.02508
     Eigenvalues ---    0.02740   0.03102   0.03252   0.03440   0.03700
     Eigenvalues ---    0.03806   0.03974   0.03992   0.04227   0.04272
     Eigenvalues ---    0.04373   0.04420   0.04596   0.04678   0.04752
     Eigenvalues ---    0.04857   0.04980   0.05027   0.05067   0.05237
     Eigenvalues ---    0.05329   0.05402   0.05434   0.05502   0.05559
     Eigenvalues ---    0.05599   0.05630   0.05655   0.05674   0.05921
     Eigenvalues ---    0.06032   0.06499   0.06860   0.07019   0.07117
     Eigenvalues ---    0.07185   0.07237   0.07369   0.07499   0.07544
     Eigenvalues ---    0.07807   0.08039   0.08299   0.08712   0.09222
     Eigenvalues ---    0.09387   0.09508   0.09744   0.10986   0.11592
     Eigenvalues ---    0.12159   0.12566   0.12863   0.12974   0.14084
     Eigenvalues ---    0.14349   0.15369   0.15770   0.15912   0.15968
     Eigenvalues ---    0.15996   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16002   0.16005
     Eigenvalues ---    0.16006   0.16011   0.16014   0.16018   0.16026
     Eigenvalues ---    0.16051   0.16192   0.16229   0.16556   0.16686
     Eigenvalues ---    0.17457   0.17795   0.19122   0.19268   0.19669
     Eigenvalues ---    0.20155   0.20579   0.21049   0.21530   0.21941
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22022   0.22078
     Eigenvalues ---    0.22309   0.22485   0.23168   0.23383   0.23440
     Eigenvalues ---    0.23495   0.23576   0.23747   0.23985   0.24627
     Eigenvalues ---    0.24703   0.24873   0.24971   0.25038   0.25116
     Eigenvalues ---    0.25302   0.25652   0.26055   0.26673   0.26920
     Eigenvalues ---    0.27651   0.27907   0.28179   0.28372   0.28604
     Eigenvalues ---    0.28794   0.29335   0.29538   0.29957   0.30274
     Eigenvalues ---    0.30552   0.31115   0.31623   0.32161   0.32622
     Eigenvalues ---    0.33221   0.34062   0.34389   0.34459   0.34514
     Eigenvalues ---    0.34592   0.34610   0.34621   0.34668   0.34691
     Eigenvalues ---    0.34706   0.34709   0.34727   0.34731   0.34748
     Eigenvalues ---    0.34748   0.34755   0.34769   0.34775   0.34791
     Eigenvalues ---    0.34798   0.34810   0.34816   0.34821   0.34830
     Eigenvalues ---    0.34844   0.34849   0.34878   0.34923   0.35003
     Eigenvalues ---    0.35390   0.35511   0.35823   0.35885   0.35905
     Eigenvalues ---    0.35931   0.35955   0.35969   0.35982   0.35991
     Eigenvalues ---    0.36003   0.36022   0.36028   0.36039   0.36042
     Eigenvalues ---    0.36094   0.37227   0.38201   0.39067   0.40587
     Eigenvalues ---    0.40960   0.42234   0.42285   0.42352   0.42723
     Eigenvalues ---    0.43063   0.43857   0.44739   0.45458   0.45668
     Eigenvalues ---    0.46083   0.46135   0.46244   0.46264   0.46338
     Eigenvalues ---    0.46514   0.46595   0.46703   0.46766   0.46891
     Eigenvalues ---    0.46933   0.47302   0.47713   0.48829   0.50584
     Eigenvalues ---    0.51885   0.55609   0.56985   0.58868   0.59709
     Eigenvalues ---    0.62213   0.75444   0.89319   0.90891   0.92218
     Eigenvalues ---    0.950181000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    36   35   34   33   32
 RFO step:  Lambda=-2.36587557D-06.
 DIIS coeffs:      1.34582     -0.01020     -0.46925      0.05393      0.07970
 Iteration  1 RMS(Cart)=  0.01117749 RMS(Int)=  0.00002191
 Iteration  2 RMS(Cart)=  0.00004806 RMS(Int)=  0.00000565
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000565
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68033  -0.00019   0.00040  -0.00042  -0.00002   2.68031
    R2        1.82979   0.00004  -0.00015   0.00014  -0.00001   1.82978
    R3        2.36391  -0.00006  -0.00001  -0.00001  -0.00002   2.36389
    R4        2.38338  -0.00002   0.00001   0.00007   0.00008   2.38347
    R5        2.36012  -0.00009  -0.00004  -0.00009  -0.00013   2.35999
    R6        2.70513   0.00007   0.00002   0.00026   0.00028   2.70541
    R7        2.63198   0.00012  -0.00008   0.00019   0.00011   2.63209
    R8        2.74001   0.00011   0.00047  -0.00014   0.00033   2.74033
    R9        2.73775   0.00009   0.00008   0.00011   0.00018   2.73794
   R10        2.66767   0.00006   0.00063   0.00020   0.00083   2.66851
   R11        2.72929   0.00004  -0.00012   0.00020   0.00008   2.72937
   R12        2.58727  -0.00001   0.00008  -0.00011  -0.00004   2.58724
   R13        1.89038   0.00002   0.00033  -0.00008   0.00024   1.89062
   R14        2.73094  -0.00005   0.00002  -0.00016  -0.00014   2.73080
   R15        2.59807  -0.00012  -0.00002  -0.00005  -0.00007   2.59800
   R16        1.88285  -0.00002   0.00009   0.00007   0.00015   1.88300
   R17        2.64078   0.00036  -0.00078  -0.00011  -0.00089   2.63990
   R18        2.71804   0.00010   0.00000  -0.00039  -0.00039   2.71765
   R19        1.87849   0.00019  -0.00002  -0.00005  -0.00008   1.87842
   R20        2.90665   0.00013  -0.00004   0.00030   0.00026   2.90691
   R21        2.91759  -0.00009   0.00006   0.00003   0.00010   2.91768
   R22        2.14682  -0.00002  -0.00020   0.00006  -0.00014   2.14667
   R23        2.91761  -0.00014  -0.00023  -0.00022  -0.00045   2.91716
   R24        2.94449   0.00000   0.00013  -0.00020  -0.00007   2.94442
   R25        2.14541  -0.00003  -0.00001  -0.00010  -0.00011   2.14530
   R26        2.87445   0.00001   0.00027  -0.00017   0.00011   2.87456
   R27        2.12570   0.00002  -0.00018   0.00020   0.00002   2.12572
   R28        2.11893   0.00000  -0.00004   0.00007   0.00003   2.11896
   R29        2.94853  -0.00006   0.00037  -0.00091  -0.00053   2.94799
   R30        2.13366  -0.00004   0.00007  -0.00018  -0.00012   2.13354
   R31        2.86693   0.00000   0.00005  -0.00017  -0.00011   2.86682
   R32        2.86159  -0.00004   0.00015  -0.00030  -0.00015   2.86143
   R33        2.12807  -0.00003  -0.00013   0.00003  -0.00010   2.12797
   R34        2.91089   0.00001   0.00022  -0.00023   0.00000   2.91088
   R35        2.13902  -0.00003  -0.00014  -0.00003  -0.00017   2.13885
   R36        2.81154  -0.00007   0.00005  -0.00015  -0.00010   2.81143
   R37        2.12151  -0.00001  -0.00006   0.00006   0.00000   2.12152
   R38        2.12176  -0.00002  -0.00015  -0.00002  -0.00017   2.12159
   R39        2.88447   0.00009   0.00002  -0.00002   0.00000   2.88446
   R40        2.13294  -0.00002   0.00000   0.00001   0.00001   2.13294
   R41        2.13713   0.00001  -0.00002   0.00012   0.00010   2.13723
   R42        2.88390  -0.00008   0.00011  -0.00040  -0.00029   2.88362
   R43        2.11482  -0.00001   0.00006  -0.00003   0.00003   2.11485
   R44        2.12315   0.00001   0.00001   0.00005   0.00006   2.12321
   R45        2.80922   0.00003  -0.00007   0.00019   0.00012   2.80933
   R46        2.12203  -0.00002  -0.00004   0.00004  -0.00001   2.12203
   R47        2.12321  -0.00001  -0.00009   0.00002  -0.00007   2.12314
   R48        2.11010  -0.00001  -0.00004   0.00001  -0.00003   2.11007
   R49        2.11047  -0.00001  -0.00002   0.00002   0.00000   2.11047
   R50        2.11117  -0.00001  -0.00007   0.00002  -0.00005   2.11113
   R51        2.11043  -0.00002  -0.00001  -0.00001  -0.00003   2.11040
   R52        2.10892  -0.00001  -0.00001   0.00001   0.00000   2.10892
   R53        2.11176  -0.00002  -0.00003  -0.00002  -0.00006   2.11171
   R54        2.12917   0.00001   0.00001   0.00003   0.00004   2.12920
   R55        2.13432  -0.00003  -0.00010  -0.00004  -0.00014   2.13418
   R56        2.64630  -0.00003  -0.00005  -0.00006  -0.00011   2.64619
   R57        2.64633   0.00000   0.00004   0.00008   0.00012   2.64645
   R58        2.64662   0.00001   0.00002   0.00003   0.00006   2.64667
   R59        2.64471  -0.00001  -0.00003   0.00002  -0.00001   2.64470
   R60        2.88825  -0.00002   0.00014  -0.00001   0.00013   2.88838
   R61        2.63327   0.00000   0.00002  -0.00002   0.00000   2.63328
   R62        2.07900  -0.00001  -0.00005   0.00001  -0.00004   2.07896
   R63        2.63521  -0.00002  -0.00003  -0.00002  -0.00005   2.63516
   R64        2.08482  -0.00002  -0.00003   0.00003   0.00000   2.08482
   R65        2.63301  -0.00001   0.00000  -0.00003  -0.00003   2.63298
   R66        2.07910  -0.00001  -0.00003   0.00001  -0.00002   2.07908
   R67        2.63467  -0.00001   0.00001  -0.00001   0.00000   2.63467
   R68        2.07933   0.00000  -0.00003   0.00002  -0.00001   2.07931
   R69        2.12369  -0.00001  -0.00011   0.00002  -0.00009   2.12360
   R70        2.11698  -0.00002  -0.00005   0.00001  -0.00004   2.11694
   R71        2.63589  -0.00001  -0.00001  -0.00003  -0.00003   2.63586
   R72        2.07829  -0.00001  -0.00003   0.00000  -0.00003   2.07826
   R73        2.63518   0.00000   0.00001  -0.00002  -0.00001   2.63516
   R74        2.07906  -0.00001  -0.00005   0.00002  -0.00003   2.07903
   R75        2.07790  -0.00001  -0.00002   0.00001  -0.00001   2.07789
   R76        2.63636   0.00000   0.00002  -0.00003  -0.00002   2.63634
   R77        2.07850  -0.00001  -0.00004   0.00001  -0.00002   2.07847
   R78        2.63492  -0.00001   0.00001  -0.00005  -0.00004   2.63488
   R79        2.07827  -0.00001  -0.00004   0.00001  -0.00003   2.07824
   R80        2.07775  -0.00001  -0.00003   0.00002  -0.00002   2.07773
   R81        2.66088   0.00024   0.00021   0.00016   0.00037   2.66125
   R82        2.65871   0.00000  -0.00032   0.00014  -0.00017   2.65854
   R83        2.64312  -0.00002  -0.00018  -0.00001  -0.00019   2.64293
   R84        2.79759   0.00005   0.00010  -0.00007   0.00002   2.79761
   R85        2.64390   0.00008   0.00017   0.00023   0.00040   2.64430
   R86        2.79801   0.00003   0.00007   0.00005   0.00012   2.79813
   R87        2.63184   0.00006   0.00015   0.00019   0.00034   2.63219
   R88        2.07983  -0.00001  -0.00002   0.00003   0.00001   2.07984
   R89        2.63162  -0.00006  -0.00018  -0.00001  -0.00019   2.63143
   R90        2.07990  -0.00001  -0.00005   0.00002  -0.00002   2.07988
   R91        2.11239  -0.00001  -0.00003   0.00000  -0.00003   2.11237
   R92        2.11723  -0.00003  -0.00004  -0.00002  -0.00006   2.11717
   R93        2.11602   0.00002  -0.00009   0.00006  -0.00002   2.11599
   R94        2.11230  -0.00001   0.00000  -0.00001  -0.00002   2.11228
   R95        2.11473  -0.00001  -0.00006   0.00003  -0.00003   2.11470
   R96        2.11558  -0.00001  -0.00007   0.00004  -0.00004   2.11554
   R97        2.07901  -0.00001  -0.00006   0.00003  -0.00004   2.07897
    A1        1.88902  -0.00023  -0.00023  -0.00002  -0.00026   1.88876
    A2        1.99667   0.00001  -0.00015   0.00022   0.00007   1.99674
    A3        2.05750   0.00006  -0.00014  -0.00055  -0.00070   2.05679
    A4        2.05007  -0.00006  -0.00034  -0.00076  -0.00110   2.04897
    A5        2.08978   0.00000  -0.00003   0.00005   0.00003   2.08981
    A6        2.18286   0.00005   0.00000   0.00034   0.00037   2.18323
    A7        2.03622  -0.00005  -0.00002  -0.00008  -0.00007   2.03615
    A8        2.06397   0.00000  -0.00007  -0.00020  -0.00024   2.06373
    A9        2.13717   0.00011   0.00021  -0.00013   0.00008   2.13725
   A10        2.02580  -0.00004  -0.00032  -0.00007  -0.00038   2.02541
   A11        2.06334  -0.00007  -0.00009  -0.00034  -0.00043   2.06292
   A12        2.10613   0.00000   0.00079   0.00086   0.00162   2.10776
   A13        2.01068   0.00004   0.00117   0.00201   0.00310   2.01379
   A14        2.06368  -0.00002   0.00073   0.00133   0.00199   2.06568
   A15        2.00568   0.00012   0.00003   0.00058   0.00061   2.00629
   A16        1.94525  -0.00018  -0.00025  -0.00030  -0.00055   1.94470
   A17        1.87356   0.00002  -0.00005  -0.00002  -0.00007   1.87349
   A18        1.91076   0.00006  -0.00008  -0.00024  -0.00032   1.91044
   A19        1.84773  -0.00006   0.00031  -0.00005   0.00025   1.84798
   A20        1.87337   0.00004   0.00009   0.00003   0.00012   1.87348
   A21        1.99339  -0.00009  -0.00030  -0.00029  -0.00059   1.99280
   A22        1.92547   0.00011  -0.00008   0.00026   0.00018   1.92565
   A23        1.86899  -0.00002   0.00051  -0.00062  -0.00011   1.86888
   A24        1.90753  -0.00003   0.00009  -0.00012  -0.00003   1.90750
   A25        1.86678   0.00004  -0.00008   0.00036   0.00028   1.86706
   A26        1.89847  -0.00001  -0.00015   0.00045   0.00031   1.89878
   A27        1.99987   0.00017   0.00012   0.00016   0.00028   2.00015
   A28        1.88421  -0.00005  -0.00001   0.00011   0.00010   1.88430
   A29        1.87800  -0.00005  -0.00002  -0.00011  -0.00013   1.87786
   A30        1.90740  -0.00008  -0.00015   0.00005  -0.00010   1.90730
   A31        1.90763  -0.00002   0.00012  -0.00017  -0.00005   1.90758
   A32        1.88331   0.00003  -0.00007  -0.00004  -0.00011   1.88320
   A33        1.97380  -0.00023  -0.00025  -0.00014  -0.00038   1.97342
   A34        1.91199   0.00005  -0.00037  -0.00035  -0.00072   1.91126
   A35        1.81856   0.00006   0.00075  -0.00005   0.00069   1.81926
   A36        1.93631   0.00018   0.00014   0.00058   0.00072   1.93703
   A37        1.92117   0.00003  -0.00012   0.00013   0.00000   1.92117
   A38        1.89738  -0.00009  -0.00011  -0.00022  -0.00033   1.89705
   A39        1.90492   0.00005   0.00015   0.00018   0.00033   1.90525
   A40        1.94317  -0.00008  -0.00017  -0.00033  -0.00050   1.94267
   A41        1.89432   0.00002   0.00006   0.00022   0.00028   1.89460
   A42        1.91274   0.00004   0.00007   0.00011   0.00018   1.91293
   A43        1.89535  -0.00003  -0.00005   0.00000  -0.00006   1.89529
   A44        1.91264   0.00000  -0.00006  -0.00017  -0.00023   1.91241
   A45        1.94219  -0.00007   0.00009  -0.00042  -0.00033   1.94186
   A46        1.95105  -0.00010  -0.00013  -0.00020  -0.00034   1.95071
   A47        1.88247   0.00006  -0.00004   0.00027   0.00023   1.88270
   A48        1.91035   0.00016   0.00004   0.00033   0.00037   1.91072
   A49        1.88201  -0.00004   0.00012  -0.00028  -0.00016   1.88184
   A50        1.89366  -0.00002  -0.00006   0.00031   0.00025   1.89391
   A51        1.95969  -0.00007  -0.00034   0.00017  -0.00016   1.95953
   A52        1.91931  -0.00001  -0.00014  -0.00007  -0.00021   1.91910
   A53        1.87722   0.00004   0.00038  -0.00011   0.00027   1.87748
   A54        1.91757   0.00002   0.00002  -0.00003  -0.00001   1.91756
   A55        1.91284   0.00003   0.00014  -0.00002   0.00012   1.91296
   A56        1.87489  -0.00001  -0.00004   0.00005   0.00001   1.87490
   A57        2.14959   0.00005  -0.00011   0.00034   0.00023   2.14983
   A58        2.12144  -0.00007  -0.00008  -0.00025  -0.00033   2.12111
   A59        2.01148   0.00002   0.00016   0.00001   0.00018   2.01166
   A60        2.00021   0.00003   0.00035   0.00059   0.00094   2.00115
   A61        1.87338  -0.00002  -0.00014  -0.00048  -0.00062   1.87275
   A62        1.90215   0.00000   0.00020   0.00023   0.00042   1.90257
   A63        1.90628  -0.00001  -0.00005   0.00023   0.00018   1.90646
   A64        1.89121   0.00000  -0.00014  -0.00037  -0.00052   1.89069
   A65        1.88784  -0.00001  -0.00024  -0.00023  -0.00047   1.88737
   A66        1.93831   0.00005   0.00044   0.00053   0.00098   1.93929
   A67        1.89992   0.00000  -0.00010   0.00006  -0.00004   1.89988
   A68        1.91184  -0.00001  -0.00004  -0.00018  -0.00022   1.91162
   A69        1.90564  -0.00004  -0.00009  -0.00029  -0.00038   1.90525
   A70        1.92293  -0.00001  -0.00014  -0.00016  -0.00030   1.92262
   A71        1.88424   0.00001  -0.00008   0.00002  -0.00006   1.88418
   A72        1.96972  -0.00004   0.00006  -0.00013  -0.00007   1.96965
   A73        1.90845   0.00004  -0.00012   0.00002  -0.00010   1.90835
   A74        1.87756   0.00002   0.00008   0.00009   0.00017   1.87773
   A75        1.92462  -0.00003  -0.00004  -0.00010  -0.00014   1.92448
   A76        1.90420   0.00002   0.00002   0.00019   0.00022   1.90442
   A77        1.87642  -0.00001   0.00000  -0.00006  -0.00006   1.87636
   A78        2.11611   0.00002   0.00019   0.00004   0.00022   2.11633
   A79        2.08062   0.00005   0.00002   0.00026   0.00027   2.08089
   A80        2.08371  -0.00007  -0.00028  -0.00007  -0.00033   2.08338
   A81        1.93354  -0.00001  -0.00004  -0.00004  -0.00008   1.93346
   A82        1.91418   0.00000  -0.00003  -0.00003  -0.00006   1.91413
   A83        1.92997   0.00001   0.00004  -0.00002   0.00002   1.92999
   A84        1.89246   0.00001   0.00006   0.00007   0.00013   1.89260
   A85        1.90102   0.00000   0.00002   0.00001   0.00002   1.90104
   A86        1.89176  -0.00001  -0.00005   0.00002  -0.00003   1.89173
   A87        1.93018   0.00001   0.00009  -0.00004   0.00005   1.93023
   A88        1.94328  -0.00006  -0.00005  -0.00034  -0.00039   1.94290
   A89        1.91578   0.00001   0.00013   0.00000   0.00013   1.91591
   A90        1.89243   0.00002  -0.00010   0.00007  -0.00003   1.89240
   A91        1.89315   0.00000  -0.00003   0.00011   0.00008   1.89323
   A92        1.88777   0.00003  -0.00006   0.00022   0.00016   1.88793
   A93        1.97517   0.00000  -0.00034  -0.00047  -0.00080   1.97436
   A94        1.91016   0.00001  -0.00020  -0.00009  -0.00029   1.90986
   A95        1.88352  -0.00001   0.00038   0.00052   0.00089   1.88441
   A96        1.90926   0.00000  -0.00003  -0.00009  -0.00012   1.90914
   A97        1.90250   0.00000   0.00018   0.00013   0.00031   1.90280
   A98        1.88082   0.00000   0.00004   0.00004   0.00007   1.88090
   A99        2.09420   0.00005   0.00013   0.00001   0.00013   2.09433
   A100       2.10630  -0.00007  -0.00026  -0.00001  -0.00027   2.10603
   A101       2.08263   0.00002   0.00013   0.00000   0.00013   2.08277
   A102       2.09859   0.00002  -0.00006   0.00008   0.00002   2.09861
   A103       2.10302  -0.00002   0.00003  -0.00003   0.00000   2.10301
   A104       2.08148   0.00000   0.00004  -0.00005  -0.00001   2.08146
   A105       2.13959   0.00008   0.00024   0.00012   0.00036   2.13995
   A106       2.06611   0.00011  -0.00001   0.00034   0.00032   2.06644
   A107       2.07571  -0.00018  -0.00020  -0.00044  -0.00064   2.07507
   A108       2.10061  -0.00001  -0.00008  -0.00001  -0.00008   2.10052
   A109       2.08989   0.00001  -0.00006   0.00003  -0.00003   2.08986
   A110       2.09269   0.00001   0.00014  -0.00002   0.00011   2.09280
   A111       2.09722  -0.00001  -0.00008  -0.00002  -0.00010   2.09712
   A112       2.10073  -0.00002  -0.00019   0.00001  -0.00018   2.10056
   A113       2.08522   0.00003   0.00027   0.00001   0.00027   2.08549
   A114       2.10008  -0.00001  -0.00002   0.00002   0.00000   2.10008
   A115       2.08875   0.00001  -0.00001   0.00001   0.00000   2.08875
   A116       2.09433   0.00000   0.00003  -0.00002   0.00001   2.09434
   A117       2.09995   0.00000  -0.00002   0.00002   0.00000   2.09995
   A118       2.09151   0.00000  -0.00001  -0.00001  -0.00002   2.09149
   A119       2.09173   0.00000   0.00003  -0.00001   0.00002   2.09174
   A120       1.93614  -0.00013  -0.00036  -0.00061  -0.00098   1.93517
   A121       1.86971   0.00009   0.00039   0.00040   0.00079   1.87050
   A122       1.95761  -0.00002  -0.00032   0.00005  -0.00027   1.95734
   A123       1.88355  -0.00001   0.00006   0.00008   0.00014   1.88369
   A124       1.89352   0.00007   0.00005   0.00009   0.00014   1.89366
   A125       1.92205   0.00000   0.00021  -0.00001   0.00020   1.92225
   A126       2.09598   0.00000  -0.00002   0.00002   0.00000   2.09598
   A127       2.09223   0.00000   0.00007  -0.00003   0.00004   2.09226
   A128       2.09498   0.00000  -0.00004   0.00001  -0.00003   2.09494
   A129       2.09867  -0.00001  -0.00001  -0.00001  -0.00002   2.09865
   A130       2.08833   0.00001   0.00000   0.00004   0.00004   2.08836
   A131       2.09619   0.00000   0.00001  -0.00003  -0.00002   2.09617
   A132       2.09126   0.00001   0.00007   0.00001   0.00007   2.09133
   A133       2.09565   0.00000  -0.00007   0.00002  -0.00006   2.09559
   A134       2.09628  -0.00001   0.00001  -0.00002  -0.00002   2.09626
   A135       2.09676   0.00000  -0.00001   0.00001   0.00000   2.09676
   A136       2.09184   0.00000   0.00001   0.00001   0.00002   2.09186
   A137       2.09458   0.00000   0.00000  -0.00002  -0.00002   2.09457
   A138       2.09691   0.00000  -0.00001   0.00001   0.00000   2.09690
   A139       2.09176   0.00000   0.00002  -0.00001   0.00001   2.09177
   A140       2.09452   0.00000  -0.00001   0.00000  -0.00001   2.09451
   A141       2.09119   0.00001   0.00002   0.00000   0.00002   2.09121
   A142       2.09572   0.00000  -0.00001  -0.00001  -0.00001   2.09571
   A143       2.09627   0.00000  -0.00002   0.00001  -0.00001   2.09626
   A144       2.04716   0.00019   0.00007  -0.00005   0.00002   2.04717
   A145       2.11391  -0.00012   0.00008   0.00005   0.00013   2.11404
   A146       2.11791  -0.00007  -0.00012   0.00000  -0.00012   2.11779
   A147       2.06843  -0.00001   0.00005   0.00001   0.00006   2.06849
   A148       2.11562   0.00012   0.00005  -0.00017  -0.00013   2.11549
   A149       2.09911  -0.00011  -0.00009   0.00016   0.00007   2.09918
   A150       2.06865   0.00004   0.00012  -0.00002   0.00010   2.06875
   A151       2.12001   0.00001   0.00021   0.00002   0.00023   2.12024
   A152       2.09448  -0.00005  -0.00032   0.00000  -0.00033   2.09415
   A153       2.10630   0.00003   0.00002   0.00000   0.00002   2.10632
   A154       2.08379   0.00002   0.00015   0.00016   0.00031   2.08410
   A155       2.09309  -0.00004  -0.00017  -0.00016  -0.00033   2.09276
   A156       2.10621   0.00001  -0.00001  -0.00003  -0.00004   2.10617
   A157       2.08437  -0.00003  -0.00014  -0.00010  -0.00024   2.08412
   A158       2.09258   0.00002   0.00015   0.00013   0.00029   2.09287
   A159       1.93798  -0.00001   0.00002   0.00002   0.00004   1.93802
   A160       1.92048   0.00000  -0.00014   0.00008  -0.00006   1.92042
   A161       1.92936   0.00004   0.00013  -0.00013   0.00000   1.92937
   A162       1.88808  -0.00001   0.00015   0.00008   0.00022   1.88830
   A163       1.89250  -0.00002  -0.00012  -0.00007  -0.00019   1.89231
   A164       1.89428   0.00001  -0.00004   0.00002  -0.00002   1.89426
   A165       1.93743   0.00000   0.00004   0.00004   0.00009   1.93752
   A166       1.92633   0.00000  -0.00003   0.00000  -0.00003   1.92630
   A167       1.92541   0.00000   0.00000  -0.00009  -0.00010   1.92532
   A168       1.89372   0.00000  -0.00008   0.00004  -0.00004   1.89367
   A169       1.88905   0.00000  -0.00001   0.00003   0.00002   1.88907
   A170       1.89069   0.00000   0.00008  -0.00001   0.00006   1.89075
   A171       2.09862   0.00001  -0.00006   0.00005  -0.00002   2.09860
   A172       2.09256  -0.00003  -0.00012  -0.00018  -0.00030   2.09226
   A173       2.09199   0.00003   0.00019   0.00013   0.00032   2.09231
    D1        0.60583   0.00001  -0.01373  -0.00033  -0.01406   0.59178
    D2       -1.56383  -0.00009  -0.01345  -0.00072  -0.01417  -1.57800
    D3        2.69187  -0.00004  -0.01353  -0.00028  -0.01382   2.67805
    D4        2.38082   0.00008   0.00282   0.00386   0.00668   2.38750
    D5       -1.85067   0.00005   0.00292   0.00386   0.00678  -1.84389
    D6        0.26029   0.00010   0.00324   0.00415   0.00739   0.26767
    D7       -2.12980   0.00001   0.00058   0.00178   0.00236  -2.12744
    D8        1.10902   0.00003   0.00023   0.00178   0.00201   1.11103
    D9        0.92339   0.00000   0.00092   0.00270   0.00361   0.92700
   D10       -1.23320   0.00002   0.00108   0.00287   0.00394  -1.22925
   D11        2.98664  -0.00002   0.00100   0.00255   0.00354   2.99019
   D12       -2.65193   0.00001  -0.00030  -0.00029  -0.00059  -2.65251
   D13        1.47467   0.00003  -0.00014  -0.00011  -0.00025   1.47442
   D14       -0.58867  -0.00001  -0.00022  -0.00043  -0.00066  -0.58933
   D15        2.58884   0.00003   0.00061  -0.00076  -0.00015   2.58869
   D16       -1.57402   0.00003   0.00067  -0.00044   0.00023  -1.57379
   D17        0.46666   0.00001   0.00041  -0.00085  -0.00044   0.46622
   D18       -0.10886   0.00003   0.00194   0.00250   0.00444  -0.10442
   D19        2.01146   0.00003   0.00200   0.00283   0.00482   2.01628
   D20       -2.23105   0.00001   0.00174   0.00242   0.00415  -2.22690
   D21        0.08209  -0.00001   0.00181   0.00104   0.00285   0.08494
   D22       -3.13970   0.00001   0.00098   0.00430   0.00528  -3.13442
   D23        2.78165   0.00001   0.00053  -0.00216  -0.00162   2.78002
   D24       -0.44014   0.00003  -0.00029   0.00110   0.00080  -0.43934
   D25       -0.85831   0.00007  -0.00079   0.00122   0.00043  -0.85789
   D26       -3.04491   0.00004  -0.00048   0.00133   0.00084  -3.04407
   D27        1.19154   0.00007  -0.00043   0.00148   0.00105   1.19259
   D28        2.30183   0.00004  -0.00226  -0.00261  -0.00487   2.29696
   D29        0.11523   0.00001  -0.00196  -0.00250  -0.00445   0.11077
   D30       -1.93151   0.00005  -0.00190  -0.00235  -0.00424  -1.93575
   D31        0.09455   0.00004   0.00054  -0.00310  -0.00256   0.09199
   D32       -3.08576   0.00005   0.00002  -0.00004  -0.00002  -3.08578
   D33       -3.06586   0.00007   0.00203   0.00078   0.00281  -3.06305
   D34        0.03702   0.00007   0.00151   0.00384   0.00536   0.04237
   D35       -1.76903   0.00005  -0.00096  -0.00033  -0.00129  -1.77032
   D36        2.37220  -0.00004  -0.00098  -0.00030  -0.00128   2.37092
   D37        0.29188   0.00000  -0.00080  -0.00074  -0.00154   0.29034
   D38        1.00982   0.00004  -0.00153  -0.00208  -0.00361   1.00621
   D39       -1.13214  -0.00005  -0.00155  -0.00205  -0.00360  -1.13574
   D40        3.07073  -0.00001  -0.00137  -0.00249  -0.00386   3.06687
   D41       -0.15800   0.00008   0.00115   0.00087   0.00202  -0.15598
   D42        3.04870   0.00003   0.00075   0.00041   0.00116   3.04986
   D43       -2.92946   0.00009   0.00178   0.00260   0.00438  -2.92508
   D44        0.27724   0.00003   0.00137   0.00214   0.00352   0.28075
   D45       -2.90160  -0.00001  -0.00202  -0.00112  -0.00315  -2.90475
   D46        0.31854  -0.00003  -0.00122  -0.00430  -0.00552   0.31302
   D47       -0.23965   0.00003   0.00393   0.00839   0.01232  -0.22733
   D48        2.98049   0.00001   0.00473   0.00521   0.00995   2.99044
   D49        0.33512   0.00001   0.00088   0.00358   0.00447   0.33958
   D50        2.46934   0.00002   0.00046   0.00308   0.00354   2.47288
   D51       -1.77161   0.00001   0.00060   0.00337   0.00397  -1.76764
   D52       -2.31272  -0.00005  -0.00537  -0.00638  -0.01174  -2.32446
   D53       -0.17849  -0.00004  -0.00579  -0.00688  -0.01267  -0.19116
   D54        1.86374  -0.00005  -0.00564  -0.00659  -0.01224   1.85150
   D55       -0.90270   0.00009   0.00009   0.00159   0.00167  -0.90103
   D56        1.22679   0.00006  -0.00003   0.00183   0.00180   1.22859
   D57       -3.02791   0.00005  -0.00013   0.00179   0.00166  -3.02625
   D58        1.30175   0.00000  -0.00030   0.00144   0.00113   1.30288
   D59       -2.85194  -0.00003  -0.00042   0.00168   0.00126  -2.85069
   D60       -0.82345  -0.00004  -0.00052   0.00164   0.00111  -0.82234
   D61       -2.96712   0.00004  -0.00008   0.00132   0.00124  -2.96588
   D62       -0.83763   0.00001  -0.00020   0.00157   0.00137  -0.83627
   D63        1.19086   0.00000  -0.00030   0.00152   0.00123   1.19208
   D64       -1.08039   0.00007   0.00007   0.00195   0.00202  -1.07837
   D65        1.06045   0.00003  -0.00023   0.00198   0.00175   1.06220
   D66        3.09701   0.00005  -0.00015   0.00194   0.00179   3.09880
   D67        2.96433   0.00000   0.00029   0.00160   0.00189   2.96623
   D68       -1.17801  -0.00004  -0.00001   0.00163   0.00162  -1.17639
   D69        0.85855  -0.00002   0.00008   0.00159   0.00166   0.86021
   D70        0.96646   0.00002  -0.00007   0.00177   0.00170   0.96816
   D71        3.10730  -0.00001  -0.00038   0.00180   0.00143   3.10873
   D72       -1.13933   0.00000  -0.00029   0.00176   0.00147  -1.13786
   D73        3.04862  -0.00003   0.00083  -0.00187  -0.00104   3.04757
   D74        0.93488  -0.00006   0.00075  -0.00192  -0.00118   0.93370
   D75       -1.17174  -0.00003   0.00089  -0.00165  -0.00076  -1.17251
   D76       -1.06835   0.00002   0.00058  -0.00183  -0.00126  -1.06960
   D77        3.10110   0.00000   0.00049  -0.00188  -0.00139   3.09971
   D78        0.99448   0.00003   0.00063  -0.00161  -0.00097   0.99350
   D79        0.98410   0.00002   0.00041  -0.00117  -0.00075   0.98335
   D80       -1.12964  -0.00001   0.00033  -0.00122  -0.00089  -1.13053
   D81        3.04693   0.00003   0.00047  -0.00094  -0.00047   3.04646
   D82        1.71004  -0.00001  -0.00249   0.00290   0.00041   1.71045
   D83       -1.39352  -0.00001  -0.00198  -0.00012  -0.00210  -1.39562
   D84       -0.49555   0.00005  -0.00212   0.00317   0.00106  -0.49449
   D85        2.68408   0.00004  -0.00161   0.00015  -0.00146   2.68262
   D86       -2.52796   0.00002  -0.00200   0.00256   0.00056  -2.52740
   D87        0.65166   0.00002  -0.00149  -0.00046  -0.00195   0.64971
   D88        1.40302  -0.00004   0.00460   0.00082   0.00541   1.40844
   D89       -2.72383  -0.00001   0.00403   0.00070   0.00473  -2.71910
   D90       -0.62298   0.00001   0.00390   0.00089   0.00478  -0.61820
   D91       -0.71379  -0.00003   0.00464   0.00053   0.00518  -0.70861
   D92        1.44254   0.00000   0.00408   0.00041   0.00449   1.44703
   D93       -2.73979   0.00002   0.00394   0.00060   0.00455  -2.73525
   D94       -2.77122   0.00000   0.00474   0.00065   0.00539  -2.76583
   D95       -0.61489   0.00003   0.00418   0.00053   0.00471  -0.61018
   D96        1.48596   0.00005   0.00404   0.00072   0.00476   1.49072
   D97       -1.07552  -0.00003   0.00062   0.00081   0.00143  -1.07409
   D98        1.08967  -0.00009   0.00054   0.00049   0.00103   1.09070
   D99       -3.13671  -0.00004   0.00056   0.00089   0.00144  -3.13527
   D100       3.01630   0.00010   0.00111   0.00082   0.00193   3.01823
   D101      -1.10170   0.00005   0.00103   0.00051   0.00153  -1.10016
   D102       0.95510   0.00009   0.00104   0.00090   0.00195   0.95705
   D103       0.90138   0.00002   0.00125   0.00045   0.00170   0.90308
   D104       3.06658  -0.00004   0.00117   0.00013   0.00129   3.06787
   D105      -1.15981   0.00001   0.00118   0.00052   0.00171  -1.15810
   D106      -1.06045   0.00003  -0.00154  -0.00085  -0.00238  -1.06283
   D107       3.13431   0.00002  -0.00157  -0.00089  -0.00246   3.13184
   D108       1.04898   0.00003  -0.00152  -0.00088  -0.00240   1.04658
   D109       1.07172  -0.00002  -0.00160  -0.00107  -0.00267   1.06905
   D110      -1.01671  -0.00002  -0.00164  -0.00111  -0.00275  -1.01946
   D111      -3.10204  -0.00002  -0.00158  -0.00110  -0.00268  -3.10472
   D112      -3.12263  -0.00001  -0.00167  -0.00121  -0.00288  -3.12551
   D113       1.07213  -0.00001  -0.00170  -0.00126  -0.00296   1.06917
   D114      -1.01320  -0.00001  -0.00164  -0.00125  -0.00289  -1.01609
   D115       0.91124   0.00001  -0.00130  -0.00043  -0.00173   0.90951
   D116      -1.19399   0.00002  -0.00121  -0.00026  -0.00147  -1.19546
   D117       2.99942   0.00002  -0.00119  -0.00032  -0.00151   2.99791
   D118      -1.19792  -0.00002  -0.00143  -0.00052  -0.00195  -1.19987
   D119       2.98004  -0.00001  -0.00133  -0.00035  -0.00169   2.97835
   D120       0.89027  -0.00001  -0.00132  -0.00041  -0.00173   0.88854
   D121       3.00706  -0.00001  -0.00137  -0.00048  -0.00185   3.00521
   D122       0.90184   0.00000  -0.00128  -0.00031  -0.00159   0.90025
   D123      -1.18794   0.00000  -0.00126  -0.00037  -0.00163  -1.18957
   D124      -1.03695   0.00001  -0.00024   0.00102   0.00078  -1.03617
   D125       1.11204  -0.00003  -0.00034   0.00081   0.00047   1.11251
   D126      -3.13836  -0.00001  -0.00036   0.00080   0.00044  -3.13793
   D127       3.08624   0.00004  -0.00029   0.00146   0.00117   3.08742
   D128      -1.04795   0.00001  -0.00039   0.00126   0.00087  -1.04708
   D129       0.98483   0.00003  -0.00041   0.00124   0.00083   0.98567
   D130       1.03675   0.00001  -0.00042   0.00143   0.00102   1.03776
   D131      -3.09745  -0.00002  -0.00051   0.00123   0.00071  -3.09674
   D132      -1.06467  -0.00001  -0.00054   0.00121   0.00068  -1.06399
   D133      -1.55067  -0.00004  -0.00090  -0.00095  -0.00186  -1.55252
   D134       1.60249  -0.00004  -0.00115  -0.00036  -0.00151   1.60099
   D135       2.59070   0.00001  -0.00051  -0.00096  -0.00147   2.58923
   D136      -0.53933   0.00001  -0.00075  -0.00037  -0.00112  -0.54045
   D137       0.53444  -0.00001  -0.00055  -0.00099  -0.00155   0.53289
   D138      -2.59559  -0.00001  -0.00079  -0.00040  -0.00119  -2.59678
   D139       0.72558   0.00001  -0.00195  -0.00268  -0.00463   0.72095
   D140       2.82414  -0.00001  -0.00186  -0.00267  -0.00453   2.81961
   D141      -1.40241  -0.00001  -0.00203  -0.00271  -0.00474  -1.40715
   D142      -1.37663   0.00002  -0.00196  -0.00263  -0.00459  -1.38122
   D143       0.72193   0.00000  -0.00187  -0.00262  -0.00449   0.71745
   D144       2.77857   0.00000  -0.00205  -0.00266  -0.00471   2.77386
   D145       2.85374   0.00003  -0.00156  -0.00227  -0.00384   2.84990
   D146      -1.33089   0.00001  -0.00147  -0.00226  -0.00373  -1.33462
   D147       0.72575   0.00002  -0.00165  -0.00230  -0.00395   0.72180
   D148      -0.83589   0.00000   0.00070  -0.00006   0.00064  -0.83525
   D149      -2.97061  -0.00001   0.00121   0.00045   0.00166  -2.96896
   D150       1.26004   0.00000   0.00108   0.00038   0.00146   1.26150
   D151      -2.93106   0.00000   0.00060  -0.00028   0.00032  -2.93073
   D152       1.21741  -0.00001   0.00112   0.00023   0.00134   1.21875
   D153      -0.83513  -0.00001   0.00098   0.00016   0.00114  -0.83398
   D154       1.28562   0.00002   0.00085  -0.00004   0.00081   1.28643
   D155      -0.84910   0.00001   0.00136   0.00047   0.00183  -0.84727
   D156      -2.90163   0.00001   0.00123   0.00040   0.00163  -2.90000
   D157      -1.25357  -0.00002  -0.00036  -0.00179  -0.00215  -1.25572
   D158       1.90300  -0.00002  -0.00040  -0.00191  -0.00231   1.90069
   D159       2.88964  -0.00001  -0.00022  -0.00164  -0.00186   2.88778
   D160      -0.23697  -0.00002  -0.00026  -0.00177  -0.00203  -0.23900
   D161       0.83252   0.00000  -0.00020  -0.00163  -0.00183   0.83069
   D162      -2.29409   0.00000  -0.00025  -0.00176  -0.00200  -2.29609
   D163      -3.13000   0.00000   0.00009   0.00036   0.00045  -3.12955
   D164       0.01012   0.00000   0.00011   0.00031   0.00042   0.01054
   D165       0.00018   0.00000   0.00033  -0.00023   0.00010   0.00028
   D166       3.14030   0.00000   0.00035  -0.00028   0.00007   3.14037
   D167       3.13102   0.00000  -0.00022  -0.00055  -0.00077   3.13025
   D168      -0.01635  -0.00001  -0.00059  -0.00028  -0.00087  -0.01722
   D169       0.00092  -0.00001  -0.00046   0.00004  -0.00042   0.00050
   D170       3.13673  -0.00001  -0.00083   0.00031  -0.00052   3.13621
   D171      -3.12571   0.00000   0.00003  -0.00006  -0.00003  -3.12573
   D172       0.02255  -0.00001   0.00003  -0.00015  -0.00012   0.02243
   D173       0.00109   0.00000   0.00007   0.00007   0.00014   0.00123
   D174      -3.13384   0.00000   0.00007  -0.00002   0.00005  -3.13379
   D175       3.12411   0.00001   0.00003   0.00011   0.00014   3.12425
   D176      -0.02034   0.00000   0.00004  -0.00014  -0.00010  -0.02044
   D177      -0.00264   0.00000  -0.00001  -0.00002  -0.00003  -0.00267
   D178       3.13609  -0.00001   0.00000  -0.00027  -0.00027   3.13582
   D179       2.70611   0.00003  -0.00006   0.00033   0.00027   2.70638
   D180       0.66287   0.00000  -0.00036   0.00014  -0.00022   0.66265
   D181      -1.41936  -0.00003  -0.00067   0.00005  -0.00062  -1.41998
   D182      -0.49783   0.00008   0.00034   0.00076   0.00110  -0.49673
   D183      -2.54106   0.00005   0.00004   0.00057   0.00061  -2.54045
   D184       1.65989   0.00002  -0.00027   0.00048   0.00021   1.66010
   D185      -0.00049   0.00000   0.00001   0.00021   0.00022  -0.00027
   D186       3.14045   0.00000   0.00007  -0.00001   0.00007   3.14052
   D187      -3.14060   0.00000  -0.00002   0.00026   0.00025  -3.14036
   D188       0.00034   0.00000   0.00005   0.00004   0.00010   0.00043
   D189      -0.00172   0.00001   0.00026   0.00017   0.00043  -0.00129
   D190       3.13755   0.00001   0.00029   0.00033   0.00062   3.13816
   D191      -3.13758   0.00001   0.00063  -0.00010   0.00053  -3.13706
   D192       0.00168   0.00001   0.00066   0.00006   0.00072   0.00239
   D193       0.00134   0.00000  -0.00007  -0.00005  -0.00012   0.00122
   D194      -3.13819   0.00000  -0.00010   0.00001  -0.00009  -3.13828
   D195       3.13625   0.00000  -0.00007   0.00004  -0.00002   3.13622
   D196      -0.00328   0.00000  -0.00009   0.00010   0.00000  -0.00328
   D197       0.00178   0.00000  -0.00005  -0.00006  -0.00011   0.00167
   D198      -3.14041   0.00000  -0.00009  -0.00012  -0.00021  -3.14062
   D199      -3.13696   0.00001  -0.00006   0.00019   0.00013  -3.13683
   D200       0.00404   0.00001  -0.00010   0.00013   0.00003   0.00407
   D201      -0.00031   0.00000  -0.00021  -0.00001  -0.00021  -0.00052
   D202       3.14139  -0.00001  -0.00009  -0.00038  -0.00047   3.14092
   D203      -3.14124   0.00000  -0.00028   0.00021  -0.00006  -3.14131
   D204       0.00045   0.00000  -0.00016  -0.00016  -0.00032   0.00013
   D205       0.00141   0.00000   0.00008  -0.00018  -0.00011   0.00130
   D206      -3.14029   0.00000  -0.00004   0.00019   0.00015  -3.14014
   D207      -3.13785   0.00000   0.00004  -0.00034  -0.00030  -3.13814
   D208       0.00365   0.00000  -0.00008   0.00003  -0.00004   0.00360
   D209      -0.00222   0.00000   0.00001  -0.00003  -0.00002  -0.00224
   D210       3.14042   0.00000  -0.00003   0.00012   0.00009   3.14051
   D211       3.13730   0.00000   0.00003  -0.00008  -0.00005   3.13725
   D212      -0.00324   0.00000  -0.00001   0.00007   0.00006  -0.00318
   D213       0.00067   0.00000   0.00005   0.00008   0.00013   0.00080
   D214       3.14121   0.00000   0.00009  -0.00007   0.00002   3.14124
   D215      -3.14033   0.00000   0.00009   0.00014   0.00023  -3.14009
   D216       0.00022   0.00000   0.00013  -0.00001   0.00012   0.00034
   D217      -3.06050   0.00002  -0.00021   0.00011  -0.00009  -3.06059
   D218       0.07342   0.00002   0.00010  -0.00003   0.00007   0.07349
   D219      -0.01637   0.00000   0.00016   0.00011   0.00027  -0.01610
   D220       3.11755   0.00000   0.00047  -0.00003   0.00044   3.11798
   D221       3.06419   0.00000   0.00043  -0.00009   0.00034   3.06453
   D222      -0.06764   0.00001   0.00050  -0.00020   0.00030  -0.06734
   D223       0.02378   0.00000   0.00005  -0.00008  -0.00003   0.02375
   D224      -3.10805   0.00001   0.00012  -0.00020  -0.00007  -3.10813
   D225      -0.00243   0.00000  -0.00024  -0.00005  -0.00029  -0.00272
   D226       3.14065   0.00000  -0.00024  -0.00015  -0.00039   3.14025
   D227      -3.13642  -0.00001  -0.00055   0.00010  -0.00045  -3.13687
   D228       0.00665   0.00000  -0.00055  -0.00001  -0.00056   0.00609
   D229      -2.84095   0.00000  -0.00091  -0.00378  -0.00468  -2.84563
   D230       1.35239   0.00002  -0.00101  -0.00395  -0.00495   1.34743
   D231      -0.73970  -0.00001  -0.00095  -0.00394  -0.00490  -0.74460
   D232       0.29284   0.00000  -0.00059  -0.00393  -0.00452   0.28832
   D233      -1.79701   0.00003  -0.00069  -0.00409  -0.00479  -1.80180
   D234       2.39409  -0.00001  -0.00064  -0.00409  -0.00473   2.38936
   D235      -0.01258   0.00000  -0.00019  -0.00001  -0.00020  -0.01278
   D236       3.13628   0.00000  -0.00038  -0.00003  -0.00041   3.13587
   D237       3.11940  -0.00001  -0.00025   0.00010  -0.00015   3.11925
   D238      -0.01493  -0.00001  -0.00044   0.00008  -0.00036  -0.01529
   D239       2.81954   0.00000   0.00017   0.00050   0.00068   2.82022
   D240       0.71915   0.00000   0.00026   0.00044   0.00070   0.71984
   D241      -1.36970   0.00000   0.00019   0.00051   0.00070  -1.36900
   D242      -0.31215   0.00000   0.00024   0.00039   0.00063  -0.31152
   D243      -2.41255   0.00000   0.00033   0.00032   0.00065  -2.41190
   D244       1.78179   0.00000   0.00025   0.00040   0.00065   1.78245
   D245       0.01339   0.00000   0.00012  -0.00005   0.00007   0.01346
   D246      -3.13367   0.00000   0.00021  -0.00001   0.00020  -3.13347
   D247      -3.12969   0.00000   0.00012   0.00006   0.00017  -3.12951
   D248       0.00643   0.00000   0.00021   0.00009   0.00030   0.00674
   D249      -0.00570   0.00000   0.00010   0.00008   0.00018  -0.00552
   D250       3.14136   0.00000   0.00001   0.00005   0.00006   3.14141
   D251       3.12859   0.00000   0.00029   0.00009   0.00039   3.12898
   D252      -0.00753   0.00000   0.00020   0.00006   0.00026  -0.00727
         Item               Value     Threshold  Converged?
 Maximum Force            0.000356     0.000450     YES
 RMS     Force            0.000049     0.000300     YES
 Maximum Displacement     0.076749     0.001800     NO 
 RMS     Displacement     0.011177     0.001200     NO 
 Predicted change in Energy=-4.787403D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.251046   -0.008580   -0.929655
      2          8           0       -2.645901    0.214950   -2.480250
      3          8           0       -3.529146   -2.162238    1.278896
      4          8           0        2.338580    2.299336    2.263740
      5          8           0        3.457675   -0.998957    1.585045
      6          7           0       -2.743713   -2.638656   -0.863371
      7          7           0       -3.209725    0.395685   -0.252462
      8          7           0        2.130369    1.085895    0.318365
      9          7           0       -1.764042   -3.619648    1.126206
     10          6           0       -2.805202    1.767197   -0.049055
     11          6           0       -3.720003   -1.723915   -1.422797
     12          6           0       -1.418533    2.124888   -0.610733
     13          6           0       -0.298994    1.191624   -0.175367
     14          6           0       -4.204406   -2.104253   -2.838316
     15          6           0        1.085045    1.907780   -0.247369
     16          6           0       -2.872858    2.159794    1.442634
     17          6           0       -3.151848   -0.273256   -1.445617
     18          6           0       -1.563724   -2.933579   -1.650658
     19          6           0       -0.307014   -3.218185   -0.832398
     20          6           0        1.388578    2.293107   -1.707553
     21          6           0       -2.694932   -2.756629    0.542960
     22          6           0       -5.311855   -1.155827   -3.257242
     23          6           0       -4.713115   -3.529803   -2.881227
     24          6           0       -0.626163   -4.086668    0.381021
     25          6           0       -4.253527    2.064853    1.988648
     26          6           0        2.660975    3.048069   -1.852888
     27          6           0        2.630982    1.294937    1.581602
     28          6           0       -5.113650    3.167262    1.912910
     29          6           0       -4.702661    0.884551    2.593963
     30          6           0        2.749347    4.373560   -1.409229
     31          6           0        3.777170    2.450500   -2.449263
     32          6           0        3.649104    0.304314    2.145784
     33          6           0       -6.403465    3.091156    2.434775
     34          6           0       -5.994366    0.811739    3.114282
     35          6           0       -6.845955    1.913246    3.036688
     36          6           0        3.935260    5.088877   -1.561705
     37          6           0        4.962306    3.168708   -2.602376
     38          6           0        5.043461    4.488393   -2.159692
     39          6           0        4.635197   -1.646541    1.218874
     40          6           0        4.763682   -2.040905   -0.126938
     41          6           0        5.601252   -1.997267    2.179564
     42          6           0        5.890723   -2.779437   -0.501597
     43          6           0        6.720109   -2.728879    1.766098
     44          6           0        3.730584   -1.695512   -1.129482
     45          6           0        5.448407   -1.620186    3.603269
     46          6           0        6.865186   -3.113925    0.435788
     47          1           0       -3.545302    2.424707   -0.606158
     48          1           0       -4.629036   -1.749988   -0.743269
     49          1           0       -1.488024    2.123167   -1.733464
     50          1           0       -1.178866    3.169752   -0.281880
     51          1           0       -0.472914    0.846160    0.885341
     52          1           0       -3.343185   -1.989316   -3.554646
     53          1           0        1.017121    2.855463    0.367710
     54          1           0       -3.568552   -0.089605    0.545464
     55          1           0       -2.180199    1.510299    2.041582
     56          1           0       -2.504237    3.216470    1.532070
     57          1           0       -1.802739   -3.832639   -2.289828
     58          1           0       -1.351022   -2.060181   -2.336976
     59          1           0        0.433766   -3.750629   -1.480625
     60          1           0        0.154721   -2.248114   -0.503558
     61          1           0        1.412425    1.365341   -2.339732
     62          1           0        0.538850    2.930165   -2.074172
     63          1           0       -6.180443   -1.228133   -2.559303
     64          1           0       -5.661906   -1.417221   -4.285060
     65          1           0       -4.942712   -0.101474   -3.268183
     66          1           0       -5.471276   -3.700638   -2.079233
     67          1           0       -3.881984   -4.261542   -2.742602
     68          1           0       -5.192687   -3.730447   -3.870413
     69          1           0        0.273572   -4.128618    1.057947
     70          1           0       -0.845242   -5.138626    0.033395
     71          1           0        2.250233    0.186113   -0.092634
     72          1           0       -1.687805   -3.558584    2.115410
     73          1           0       -0.523448    0.192860   -1.836727
     74          1           0       -4.767347    4.098169    1.439851
     75          1           0       -4.040852    0.004205    2.658236
     76          1           0        1.878376    4.847708   -0.932745
     77          1           0        3.719920    1.407902   -2.796291
     78          1           0        3.472020    0.218735    3.252199
     79          1           0        4.677985    0.701556    1.949485
     80          1           0       -7.072141    3.962025    2.371971
     81          1           0       -6.339768   -0.120656    3.585157
     82          1           0       -7.863591    1.853801    3.448933
     83          1           0        3.997053    6.128381   -1.207654
     84          1           0        5.834447    2.691824   -3.072928
     85          1           0        5.978478    5.054112   -2.280441
     86          1           0        6.005400   -3.096407   -1.549310
     87          1           0        7.487567   -3.006331    2.504611
     88          1           0        3.832080   -2.328905   -2.044919
     89          1           0        3.834483   -0.622206   -1.433490
     90          1           0        2.705366   -1.847764   -0.705739
     91          1           0        6.106935   -2.244331    4.256107
     92          1           0        4.387762   -1.760014    3.931529
     93          1           0        5.724405   -0.545550    3.752455
     94          1           0        7.750222   -3.688751    0.124979
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0836062      0.0417800      0.0367001
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3251.6659580963 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247889929693     A.U. after   13 cycles
             Convg  =    0.5576D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000005694    0.000131268    0.000014071
      2        8           0.000062123   -0.000023781   -0.000053249
      3        8           0.000049300    0.000004198    0.000076623
      4        8          -0.000001793    0.000015678    0.000008912
      5        8           0.000022518    0.000002394   -0.000001791
      6        7           0.000135908    0.000124710   -0.000141077
      7        7           0.000134359    0.000052640   -0.000004409
      8        7           0.000099731   -0.000009105    0.000030721
      9        7           0.000119953    0.000035905    0.000006224
     10        6           0.000011365    0.000011776   -0.000026809
     11        6           0.000008070   -0.000048451   -0.000046746
     12        6          -0.000016909    0.000050308    0.000004977
     13        6          -0.000005666   -0.000006478   -0.000009642
     14        6          -0.000018365   -0.000030340   -0.000005824
     15        6          -0.000058729   -0.000082808    0.000003040
     16        6          -0.000008134    0.000004711    0.000052258
     17        6          -0.000261256    0.000032144    0.000014728
     18        6           0.000038820   -0.000000647    0.000067618
     19        6           0.000015663   -0.000007974   -0.000011934
     20        6           0.000004242   -0.000016272   -0.000011296
     21        6          -0.000176693   -0.000210325   -0.000057728
     22        6          -0.000027740   -0.000007053    0.000006174
     23        6           0.000024366    0.000069237    0.000073492
     24        6          -0.000038725    0.000001081    0.000023912
     25        6           0.000042939    0.000025264   -0.000023328
     26        6          -0.000012602   -0.000007394   -0.000009807
     27        6           0.000024200    0.000008287   -0.000044190
     28        6           0.000012217   -0.000003092    0.000001757
     29        6          -0.000028522   -0.000013033   -0.000002159
     30        6           0.000001040    0.000010059    0.000019771
     31        6           0.000002033    0.000015157   -0.000002795
     32        6           0.000054940   -0.000021502   -0.000006153
     33        6          -0.000011288    0.000016956   -0.000009026
     34        6           0.000032307   -0.000003982    0.000014523
     35        6          -0.000026638    0.000001399   -0.000018497
     36        6          -0.000008747    0.000005838   -0.000008153
     37        6           0.000006612    0.000000359    0.000003867
     38        6           0.000006870   -0.000011645   -0.000001088
     39        6           0.000012585   -0.000015698   -0.000081905
     40        6           0.000048651   -0.000019186    0.000016140
     41        6           0.000012254   -0.000001267    0.000010868
     42        6           0.000012333    0.000026053   -0.000011000
     43        6          -0.000052469   -0.000004616    0.000028630
     44        6          -0.000023654   -0.000021996    0.000005439
     45        6          -0.000002466    0.000003062    0.000020162
     46        6          -0.000031726    0.000027953   -0.000037530
     47        1           0.000012048   -0.000015838    0.000016909
     48        1          -0.000012627   -0.000006433    0.000010671
     49        1          -0.000005765    0.000007262    0.000022758
     50        1          -0.000009314    0.000003388    0.000002794
     51        1           0.000009381    0.000009361   -0.000000681
     52        1           0.000006603   -0.000016912    0.000001053
     53        1          -0.000021502   -0.000012731   -0.000018412
     54        1          -0.000043059   -0.000065565    0.000035879
     55        1           0.000003766   -0.000005282   -0.000001727
     56        1          -0.000018622   -0.000020934   -0.000004440
     57        1          -0.000002670    0.000005167   -0.000015580
     58        1          -0.000015666   -0.000005096    0.000007666
     59        1          -0.000004575   -0.000007947    0.000000152
     60        1          -0.000010458   -0.000018220    0.000005401
     61        1          -0.000012741   -0.000009477    0.000002873
     62        1          -0.000001178    0.000011987   -0.000003771
     63        1          -0.000004517   -0.000003086    0.000000211
     64        1          -0.000001468   -0.000001205   -0.000005758
     65        1          -0.000009037   -0.000000257   -0.000002215
     66        1          -0.000002366   -0.000000856    0.000008873
     67        1           0.000003240   -0.000001767    0.000007166
     68        1           0.000000997    0.000005692   -0.000008567
     69        1           0.000012425    0.000006069   -0.000009435
     70        1           0.000019372    0.000015041    0.000007133
     71        1          -0.000002869    0.000007032   -0.000000672
     72        1          -0.000015545    0.000049657    0.000001256
     73        1          -0.000008288   -0.000078267    0.000042814
     74        1          -0.000011955    0.000001651   -0.000005094
     75        1          -0.000006196    0.000026866   -0.000028241
     76        1          -0.000001451   -0.000001837    0.000003099
     77        1           0.000002621    0.000001564   -0.000000834
     78        1           0.000014636   -0.000021529    0.000006167
     79        1           0.000001489    0.000023372    0.000029929
     80        1          -0.000002322   -0.000005143    0.000003671
     81        1          -0.000001728    0.000004002    0.000004112
     82        1           0.000003196    0.000000854    0.000004859
     83        1           0.000000499   -0.000000394   -0.000001377
     84        1          -0.000001660   -0.000000076    0.000004126
     85        1          -0.000000473   -0.000000073   -0.000001621
     86        1           0.000004135   -0.000004598   -0.000014633
     87        1          -0.000008187    0.000008232    0.000003151
     88        1          -0.000005062   -0.000011283   -0.000000250
     89        1          -0.000003938    0.000019818    0.000006134
     90        1          -0.000005566    0.000016856   -0.000008957
     91        1          -0.000011911   -0.000003910    0.000008017
     92        1          -0.000004900   -0.000005033   -0.000000242
     93        1          -0.000010787   -0.000006395    0.000004617
     94        1          -0.000004977   -0.000003519    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000261256 RMS     0.000037315

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000138844 RMS     0.000025513
 Search for a local minimum.
 Step number  37 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37
 DE= -3.47D-06 DEPred=-4.79D-06 R= 7.25D-01
 SS=  1.41D+00  RLast= 5.17D-02 DXNew= 2.0928D+00 1.5508D-01
 Trust test= 7.25D-01 RLast= 5.17D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00127   0.00181   0.00205   0.00227   0.00237
     Eigenvalues ---    0.00261   0.00296   0.00312   0.00342   0.00398
     Eigenvalues ---    0.00464   0.00485   0.00520   0.00537   0.00568
     Eigenvalues ---    0.00618   0.00645   0.00724   0.00819   0.00998
     Eigenvalues ---    0.01298   0.01350   0.01399   0.01437   0.01454
     Eigenvalues ---    0.01493   0.01527   0.01600   0.01693   0.01730
     Eigenvalues ---    0.02008   0.02052   0.02085   0.02115   0.02127
     Eigenvalues ---    0.02147   0.02151   0.02155   0.02157   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02189   0.02194   0.02281   0.02312   0.02485
     Eigenvalues ---    0.02762   0.03114   0.03286   0.03438   0.03688
     Eigenvalues ---    0.03808   0.03974   0.03995   0.04243   0.04298
     Eigenvalues ---    0.04376   0.04421   0.04602   0.04683   0.04751
     Eigenvalues ---    0.04853   0.04991   0.05029   0.05075   0.05236
     Eigenvalues ---    0.05326   0.05402   0.05436   0.05500   0.05559
     Eigenvalues ---    0.05598   0.05632   0.05654   0.05683   0.05918
     Eigenvalues ---    0.06042   0.06471   0.06853   0.07019   0.07118
     Eigenvalues ---    0.07181   0.07240   0.07374   0.07515   0.07539
     Eigenvalues ---    0.07820   0.08053   0.08309   0.08723   0.09222
     Eigenvalues ---    0.09383   0.09500   0.09760   0.11032   0.11600
     Eigenvalues ---    0.12164   0.12561   0.12870   0.12960   0.14087
     Eigenvalues ---    0.14461   0.15354   0.15751   0.15917   0.15971
     Eigenvalues ---    0.15995   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16003   0.16004
     Eigenvalues ---    0.16006   0.16011   0.16016   0.16021   0.16026
     Eigenvalues ---    0.16064   0.16185   0.16229   0.16547   0.16678
     Eigenvalues ---    0.17421   0.17767   0.19136   0.19276   0.19757
     Eigenvalues ---    0.20198   0.20555   0.21043   0.21463   0.21969
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22026   0.22078
     Eigenvalues ---    0.22388   0.22589   0.23148   0.23367   0.23419
     Eigenvalues ---    0.23462   0.23559   0.23756   0.24042   0.24685
     Eigenvalues ---    0.24712   0.24858   0.24973   0.25041   0.25108
     Eigenvalues ---    0.25295   0.25829   0.26131   0.26642   0.26906
     Eigenvalues ---    0.27687   0.27855   0.28135   0.28351   0.28711
     Eigenvalues ---    0.28907   0.29340   0.29429   0.29945   0.30225
     Eigenvalues ---    0.30611   0.31084   0.31673   0.32233   0.32529
     Eigenvalues ---    0.33227   0.34055   0.34408   0.34451   0.34525
     Eigenvalues ---    0.34595   0.34614   0.34626   0.34664   0.34692
     Eigenvalues ---    0.34706   0.34718   0.34728   0.34731   0.34745
     Eigenvalues ---    0.34750   0.34756   0.34772   0.34775   0.34791
     Eigenvalues ---    0.34797   0.34812   0.34817   0.34822   0.34835
     Eigenvalues ---    0.34844   0.34851   0.34877   0.34927   0.35004
     Eigenvalues ---    0.35393   0.35516   0.35830   0.35886   0.35912
     Eigenvalues ---    0.35932   0.35954   0.35969   0.35981   0.35991
     Eigenvalues ---    0.36003   0.36022   0.36030   0.36033   0.36051
     Eigenvalues ---    0.36092   0.37211   0.38127   0.39136   0.40922
     Eigenvalues ---    0.40980   0.42239   0.42288   0.42358   0.43021
     Eigenvalues ---    0.43142   0.43885   0.45259   0.45419   0.45836
     Eigenvalues ---    0.46062   0.46135   0.46239   0.46329   0.46477
     Eigenvalues ---    0.46533   0.46637   0.46706   0.46767   0.46885
     Eigenvalues ---    0.46942   0.47450   0.48107   0.49505   0.50811
     Eigenvalues ---    0.51919   0.54988   0.56867   0.57800   0.59628
     Eigenvalues ---    0.62072   0.75556   0.89232   0.90912   0.92414
     Eigenvalues ---    0.952121000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    37   36   35   34   33
 RFO step:  Lambda=-7.91382426D-07.
 DIIS coeffs:      0.64039      0.62405     -0.07131     -0.24738      0.05425
 Iteration  1 RMS(Cart)=  0.00763978 RMS(Int)=  0.00000928
 Iteration  2 RMS(Cart)=  0.00002156 RMS(Int)=  0.00000176
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000176
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68031   0.00006   0.00016  -0.00030  -0.00014   2.68017
    R2        1.82978   0.00006  -0.00005   0.00014   0.00009   1.82986
    R3        2.36389  -0.00001   0.00001  -0.00003  -0.00002   2.36387
    R4        2.38347  -0.00008   0.00000  -0.00004  -0.00004   2.38343
    R5        2.35999  -0.00001   0.00001  -0.00006  -0.00004   2.35994
    R6        2.70541  -0.00006  -0.00008   0.00004  -0.00003   2.70537
    R7        2.63209  -0.00008  -0.00008   0.00001  -0.00007   2.63201
    R8        2.74033   0.00013   0.00025   0.00005   0.00030   2.74063
    R9        2.73794   0.00005   0.00005   0.00001   0.00006   2.73800
   R10        2.66851  -0.00012   0.00007  -0.00021  -0.00014   2.66837
   R11        2.72937  -0.00005  -0.00013   0.00006  -0.00007   2.72930
   R12        2.58724  -0.00004   0.00002  -0.00004  -0.00002   2.58721
   R13        1.89062  -0.00008   0.00007  -0.00014  -0.00007   1.89056
   R14        2.73080   0.00014   0.00004   0.00017   0.00022   2.73102
   R15        2.59800   0.00007   0.00006   0.00000   0.00007   2.59807
   R16        1.88300   0.00000   0.00002   0.00000   0.00002   1.88302
   R17        2.63990   0.00009  -0.00021   0.00033   0.00012   2.64001
   R18        2.71765   0.00000   0.00006  -0.00006   0.00001   2.71765
   R19        1.87842   0.00001  -0.00005   0.00010   0.00004   1.87846
   R20        2.90691  -0.00002  -0.00018   0.00023   0.00005   2.90696
   R21        2.91768   0.00002   0.00001  -0.00007  -0.00007   2.91761
   R22        2.14667  -0.00001  -0.00004   0.00001  -0.00003   2.14664
   R23        2.91716   0.00008   0.00011  -0.00010   0.00001   2.91718
   R24        2.94442  -0.00001   0.00017  -0.00008   0.00009   2.94451
   R25        2.14530   0.00000   0.00003  -0.00004  -0.00001   2.14529
   R26        2.87456   0.00004   0.00006   0.00002   0.00008   2.87463
   R27        2.12572   0.00002  -0.00010   0.00012   0.00002   2.12573
   R28        2.11896   0.00000  -0.00005   0.00001  -0.00004   2.11892
   R29        2.94799   0.00011   0.00030  -0.00020   0.00010   2.94809
   R30        2.13354   0.00001   0.00007  -0.00007   0.00000   2.13354
   R31        2.86682   0.00004   0.00004   0.00001   0.00005   2.86687
   R32        2.86143   0.00011   0.00010   0.00010   0.00020   2.86163
   R33        2.12797   0.00002  -0.00003   0.00003   0.00000   2.12797
   R34        2.91088   0.00000   0.00007  -0.00003   0.00004   2.91092
   R35        2.13885   0.00003  -0.00002   0.00003   0.00001   2.13886
   R36        2.81143   0.00005   0.00007  -0.00002   0.00005   2.81148
   R37        2.12152   0.00000  -0.00004   0.00003  -0.00001   2.12150
   R38        2.12159   0.00002  -0.00002   0.00003   0.00001   2.12159
   R39        2.88446   0.00001   0.00000   0.00007   0.00007   2.88453
   R40        2.13294  -0.00001   0.00000  -0.00004  -0.00003   2.13291
   R41        2.13723   0.00001  -0.00001   0.00004   0.00003   2.13726
   R42        2.88362   0.00003   0.00016  -0.00012   0.00004   2.88365
   R43        2.11485   0.00000   0.00002  -0.00001   0.00000   2.11485
   R44        2.12321   0.00001  -0.00002   0.00002   0.00000   2.12321
   R45        2.80933  -0.00001  -0.00007   0.00007   0.00001   2.80934
   R46        2.12203   0.00000  -0.00003   0.00001  -0.00002   2.12201
   R47        2.12314   0.00000  -0.00002   0.00000  -0.00002   2.12312
   R48        2.11007   0.00000  -0.00001   0.00000  -0.00001   2.11005
   R49        2.11047   0.00000  -0.00001   0.00000  -0.00001   2.11046
   R50        2.11113   0.00000  -0.00002   0.00002   0.00000   2.11112
   R51        2.11040   0.00000   0.00000  -0.00001  -0.00001   2.11039
   R52        2.10892   0.00000  -0.00001   0.00000  -0.00001   2.10891
   R53        2.11171  -0.00001   0.00001  -0.00003  -0.00002   2.11169
   R54        2.12920   0.00001  -0.00002   0.00004   0.00002   2.12922
   R55        2.13418   0.00002   0.00000   0.00001   0.00001   2.13419
   R56        2.64619   0.00002   0.00001   0.00000   0.00001   2.64620
   R57        2.64645   0.00001  -0.00002   0.00002   0.00000   2.64645
   R58        2.64667  -0.00002  -0.00001  -0.00001  -0.00002   2.64666
   R59        2.64470   0.00000  -0.00001   0.00000  -0.00001   2.64469
   R60        2.88838   0.00002   0.00006  -0.00003   0.00002   2.88841
   R61        2.63328   0.00002   0.00001   0.00001   0.00002   2.63330
   R62        2.07896   0.00000  -0.00001   0.00001   0.00000   2.07895
   R63        2.63516   0.00000   0.00000  -0.00001   0.00000   2.63516
   R64        2.08482  -0.00001  -0.00001  -0.00002  -0.00003   2.08479
   R65        2.63298   0.00000   0.00001   0.00000   0.00001   2.63298
   R66        2.07908   0.00000  -0.00001   0.00000  -0.00001   2.07907
   R67        2.63467   0.00000   0.00000   0.00000   0.00001   2.63467
   R68        2.07931   0.00000  -0.00001   0.00001  -0.00001   2.07931
   R69        2.12360  -0.00001  -0.00001  -0.00004  -0.00005   2.12355
   R70        2.11694  -0.00003  -0.00001  -0.00003  -0.00004   2.11690
   R71        2.63586  -0.00001   0.00001  -0.00002  -0.00001   2.63585
   R72        2.07826   0.00000  -0.00001   0.00000  -0.00001   2.07825
   R73        2.63516   0.00002   0.00000   0.00002   0.00002   2.63519
   R74        2.07903   0.00000  -0.00001   0.00001   0.00000   2.07903
   R75        2.07789   0.00000  -0.00001   0.00000  -0.00001   2.07788
   R76        2.63634   0.00001   0.00001   0.00001   0.00002   2.63636
   R77        2.07847   0.00000  -0.00001   0.00001   0.00000   2.07847
   R78        2.63488   0.00001   0.00002   0.00000   0.00001   2.63489
   R79        2.07824   0.00000  -0.00001   0.00000  -0.00001   2.07823
   R80        2.07773   0.00000  -0.00001   0.00001   0.00000   2.07773
   R81        2.66125  -0.00001  -0.00003   0.00010   0.00007   2.66132
   R82        2.65854  -0.00009  -0.00009  -0.00003  -0.00012   2.65842
   R83        2.64293  -0.00004  -0.00001  -0.00006  -0.00007   2.64286
   R84        2.79761   0.00003   0.00004   0.00007   0.00011   2.79772
   R85        2.64430  -0.00006  -0.00006   0.00003  -0.00003   2.64427
   R86        2.79813  -0.00004  -0.00001  -0.00003  -0.00004   2.79809
   R87        2.63219  -0.00003  -0.00005   0.00006   0.00001   2.63219
   R88        2.07984  -0.00001  -0.00001  -0.00001  -0.00002   2.07982
   R89        2.63143  -0.00004   0.00000  -0.00008  -0.00008   2.63134
   R90        2.07988  -0.00001  -0.00001  -0.00001  -0.00002   2.07986
   R91        2.11237   0.00000  -0.00001   0.00000  -0.00001   2.11236
   R92        2.11717  -0.00001   0.00000  -0.00004  -0.00004   2.11714
   R93        2.11599   0.00002  -0.00002   0.00007   0.00005   2.11605
   R94        2.11228  -0.00001   0.00000  -0.00003  -0.00003   2.11225
   R95        2.11470   0.00000  -0.00002   0.00001  -0.00001   2.11469
   R96        2.11554   0.00000  -0.00002   0.00002   0.00000   2.11554
   R97        2.07897   0.00000  -0.00002   0.00001  -0.00001   2.07896
    A1        1.88876   0.00000   0.00012  -0.00062  -0.00050   1.88826
    A2        1.99674  -0.00007  -0.00009  -0.00005  -0.00014   1.99660
    A3        2.05679   0.00001   0.00007   0.00015   0.00023   2.05702
    A4        2.04897  -0.00001   0.00022   0.00011   0.00033   2.04930
    A5        2.08981   0.00000  -0.00003   0.00022   0.00018   2.08999
    A6        2.18323  -0.00014   0.00005  -0.00024  -0.00020   2.18303
    A7        2.03615   0.00007   0.00000   0.00009   0.00009   2.03624
    A8        2.06373   0.00006  -0.00001   0.00016   0.00014   2.06387
    A9        2.13725   0.00004   0.00003   0.00022   0.00025   2.13750
   A10        2.02541  -0.00002  -0.00015  -0.00002  -0.00017   2.02524
   A11        2.06292  -0.00001  -0.00004  -0.00009  -0.00013   2.06279
   A12        2.10776  -0.00002  -0.00011   0.00021   0.00008   2.10784
   A13        2.01379  -0.00001  -0.00030   0.00066   0.00034   2.01413
   A14        2.06568   0.00004  -0.00016   0.00058   0.00040   2.06608
   A15        2.00629  -0.00010  -0.00010   0.00012   0.00002   2.00631
   A16        1.94470   0.00010   0.00009   0.00003   0.00012   1.94482
   A17        1.87349   0.00000  -0.00008  -0.00008  -0.00016   1.87333
   A18        1.91044   0.00001   0.00004  -0.00004   0.00001   1.91044
   A19        1.84798   0.00002   0.00007  -0.00013  -0.00007   1.84791
   A20        1.87348  -0.00002  -0.00001   0.00009   0.00008   1.87356
   A21        1.99280   0.00001   0.00003  -0.00006  -0.00003   1.99277
   A22        1.92565  -0.00001   0.00014   0.00000   0.00015   1.92580
   A23        1.86888   0.00000   0.00023  -0.00012   0.00011   1.86899
   A24        1.90750   0.00002   0.00002   0.00001   0.00003   1.90753
   A25        1.86706   0.00000  -0.00021   0.00008  -0.00013   1.86693
   A26        1.89878  -0.00002  -0.00023   0.00009  -0.00014   1.89864
   A27        2.00015   0.00000  -0.00013   0.00030   0.00017   2.00032
   A28        1.88430  -0.00002  -0.00006  -0.00016  -0.00022   1.88408
   A29        1.87786   0.00000   0.00011   0.00004   0.00015   1.87801
   A30        1.90730   0.00000   0.00003  -0.00016  -0.00013   1.90717
   A31        1.90758   0.00000  -0.00001  -0.00009  -0.00010   1.90748
   A32        1.88320   0.00000   0.00007   0.00008   0.00015   1.88334
   A33        1.97342  -0.00003   0.00007  -0.00061  -0.00054   1.97288
   A34        1.91126   0.00001   0.00050   0.00007   0.00057   1.91183
   A35        1.81926   0.00000  -0.00033  -0.00011  -0.00045   1.81881
   A36        1.93703   0.00002  -0.00023   0.00046   0.00023   1.93726
   A37        1.92117  -0.00001  -0.00006   0.00014   0.00008   1.92124
   A38        1.89705   0.00000   0.00006   0.00004   0.00010   1.89716
   A39        1.90525  -0.00001  -0.00006   0.00010   0.00004   1.90529
   A40        1.94267   0.00003   0.00012  -0.00006   0.00006   1.94273
   A41        1.89460  -0.00001  -0.00009   0.00004  -0.00005   1.89455
   A42        1.91293  -0.00001  -0.00006   0.00003  -0.00003   1.91290
   A43        1.89529   0.00000   0.00001  -0.00006  -0.00005   1.89524
   A44        1.91241  -0.00001   0.00008  -0.00006   0.00002   1.91243
   A45        1.94186   0.00002   0.00004  -0.00025  -0.00020   1.94165
   A46        1.95071   0.00001   0.00000  -0.00011  -0.00011   1.95060
   A47        1.88270   0.00000  -0.00002   0.00021   0.00018   1.88289
   A48        1.91072  -0.00002  -0.00007   0.00028   0.00022   1.91093
   A49        1.88184   0.00001   0.00022  -0.00011   0.00011   1.88196
   A50        1.89391  -0.00001  -0.00016  -0.00002  -0.00019   1.89372
   A51        1.95953   0.00011  -0.00010   0.00026   0.00016   1.95969
   A52        1.91910  -0.00002   0.00002  -0.00011  -0.00010   1.91900
   A53        1.87748  -0.00005   0.00008  -0.00015  -0.00007   1.87741
   A54        1.91756  -0.00003  -0.00001   0.00007   0.00006   1.91762
   A55        1.91296  -0.00003   0.00003  -0.00010  -0.00007   1.91289
   A56        1.87490   0.00002  -0.00001   0.00003   0.00002   1.87492
   A57        2.14983  -0.00003  -0.00007   0.00007   0.00000   2.14983
   A58        2.12111   0.00007   0.00005  -0.00006   0.00000   2.12111
   A59        2.01166  -0.00004  -0.00002  -0.00004  -0.00006   2.01160
   A60        2.00115   0.00001   0.00000   0.00002   0.00001   2.00116
   A61        1.87275   0.00000   0.00007  -0.00003   0.00004   1.87279
   A62        1.90257  -0.00001  -0.00004  -0.00004  -0.00008   1.90249
   A63        1.90646  -0.00001  -0.00008   0.00006  -0.00001   1.90645
   A64        1.89069   0.00001   0.00002   0.00004   0.00006   1.89074
   A65        1.88737   0.00000   0.00003  -0.00006  -0.00003   1.88734
   A66        1.93929  -0.00002   0.00003   0.00007   0.00009   1.93938
   A67        1.89988   0.00000  -0.00003   0.00001  -0.00002   1.89986
   A68        1.91162   0.00000   0.00002  -0.00008  -0.00006   1.91156
   A69        1.90525   0.00000   0.00006  -0.00008  -0.00002   1.90523
   A70        1.92262   0.00003  -0.00005   0.00010   0.00005   1.92268
   A71        1.88418  -0.00001  -0.00002  -0.00004  -0.00005   1.88412
   A72        1.96965   0.00000   0.00004  -0.00008  -0.00004   1.96961
   A73        1.90835   0.00001   0.00000   0.00013   0.00013   1.90847
   A74        1.87773  -0.00001  -0.00001   0.00007   0.00006   1.87779
   A75        1.92448   0.00000  -0.00003  -0.00017  -0.00020   1.92428
   A76        1.90442   0.00001  -0.00007   0.00010   0.00003   1.90445
   A77        1.87636   0.00000   0.00008  -0.00004   0.00004   1.87640
   A78        2.11633   0.00000   0.00007   0.00004   0.00011   2.11644
   A79        2.08089  -0.00001  -0.00010   0.00008  -0.00002   2.08087
   A80        2.08338   0.00001  -0.00005  -0.00016  -0.00020   2.08317
   A81        1.93346   0.00001   0.00000  -0.00001   0.00000   1.93346
   A82        1.91413   0.00000   0.00002  -0.00002   0.00000   1.91413
   A83        1.92999   0.00001   0.00000   0.00004   0.00004   1.93003
   A84        1.89260   0.00000  -0.00002   0.00003   0.00001   1.89261
   A85        1.90104  -0.00001   0.00000  -0.00003  -0.00003   1.90101
   A86        1.89173  -0.00001   0.00000  -0.00002  -0.00002   1.89170
   A87        1.93023   0.00001   0.00002   0.00000   0.00002   1.93024
   A88        1.94290   0.00000   0.00015  -0.00011   0.00004   1.94294
   A89        1.91591   0.00000   0.00001  -0.00001   0.00000   1.91591
   A90        1.89240   0.00000  -0.00004   0.00004   0.00000   1.89240
   A91        1.89323  -0.00001  -0.00004   0.00000  -0.00005   1.89318
   A92        1.88793   0.00000  -0.00010   0.00008  -0.00001   1.88791
   A93        1.97436   0.00001   0.00005  -0.00010  -0.00005   1.97431
   A94        1.90986  -0.00001  -0.00001  -0.00004  -0.00005   1.90981
   A95        1.88441   0.00000  -0.00004   0.00011   0.00006   1.88447
   A96        1.90914   0.00001   0.00003   0.00004   0.00007   1.90920
   A97        1.90280   0.00000  -0.00003   0.00006   0.00003   1.90284
   A98        1.88090  -0.00001   0.00001  -0.00007  -0.00006   1.88084
   A99        2.09433  -0.00003   0.00001  -0.00003  -0.00002   2.09431
   A100       2.10603   0.00006  -0.00003   0.00007   0.00004   2.10607
   A101       2.08277  -0.00003   0.00002  -0.00005  -0.00003   2.08274
   A102       2.09861   0.00000  -0.00005   0.00004  -0.00001   2.09861
   A103       2.10301  -0.00001   0.00002  -0.00004  -0.00002   2.10299
   A104       2.08146   0.00001   0.00003   0.00000   0.00003   2.08149
   A105       2.13995   0.00000   0.00000   0.00010   0.00011   2.14006
   A106       2.06644   0.00001  -0.00008   0.00020   0.00012   2.06656
   A107       2.07507  -0.00001   0.00008  -0.00032  -0.00024   2.07482
   A108       2.10052   0.00002  -0.00001   0.00003   0.00002   2.10054
   A109       2.08986   0.00000  -0.00002   0.00004   0.00002   2.08988
   A110       2.09280  -0.00002   0.00003  -0.00007  -0.00004   2.09276
   A111       2.09712   0.00002  -0.00001   0.00003   0.00002   2.09714
   A112       2.10056   0.00002  -0.00002   0.00004   0.00002   2.10058
   A113       2.08549  -0.00004   0.00003  -0.00007  -0.00004   2.08545
   A114       2.10008   0.00000  -0.00001   0.00000  -0.00001   2.10007
   A115       2.08875   0.00000   0.00000   0.00001   0.00001   2.08876
   A116       2.09434   0.00000   0.00001  -0.00001   0.00001   2.09434
   A117       2.09995   0.00000  -0.00001   0.00000  -0.00001   2.09994
   A118       2.09149   0.00000   0.00000   0.00001   0.00001   2.09150
   A119       2.09174   0.00000   0.00001  -0.00001   0.00000   2.09175
   A120       1.93517  -0.00004   0.00012  -0.00040  -0.00029   1.93488
   A121       1.87050   0.00000  -0.00006   0.00015   0.00009   1.87059
   A122       1.95734   0.00000  -0.00009  -0.00001  -0.00009   1.95724
   A123       1.88369   0.00003   0.00001   0.00010   0.00011   1.88380
   A124       1.89366   0.00002  -0.00001   0.00014   0.00013   1.89379
   A125       1.92225  -0.00001   0.00003   0.00003   0.00006   1.92231
   A126       2.09598   0.00000  -0.00001   0.00000  -0.00001   2.09597
   A127       2.09226   0.00000   0.00002  -0.00003  -0.00001   2.09225
   A128       2.09494   0.00001  -0.00001   0.00003   0.00002   2.09496
   A129       2.09865   0.00001   0.00000   0.00000   0.00000   2.09865
   A130       2.08836   0.00000  -0.00002   0.00003   0.00001   2.08838
   A131       2.09617  -0.00001   0.00001  -0.00003  -0.00002   2.09615
   A132       2.09133  -0.00001   0.00001  -0.00002  -0.00001   2.09132
   A133       2.09559   0.00001  -0.00002   0.00004   0.00002   2.09561
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   A135       2.09676   0.00000   0.00000   0.00000   0.00000   2.09675
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   A143       2.09626   0.00000  -0.00001   0.00001   0.00000   2.09627
   A144       2.04717   0.00000   0.00003   0.00004   0.00007   2.04725
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   A146       2.11779   0.00003   0.00000   0.00001   0.00001   2.11780
   A147       2.06849  -0.00002   0.00000  -0.00003  -0.00003   2.06846
   A148       2.11549  -0.00002   0.00006  -0.00006   0.00000   2.11549
   A149       2.09918   0.00004  -0.00006   0.00009   0.00003   2.09921
   A150       2.06875  -0.00001   0.00002   0.00000   0.00001   2.06876
   A151       2.12024  -0.00004   0.00000  -0.00005  -0.00005   2.12019
   A152       2.09415   0.00004  -0.00001   0.00005   0.00003   2.09419
   A153       2.10632  -0.00001   0.00000  -0.00001  -0.00001   2.10632
   A154       2.08410   0.00001  -0.00005   0.00012   0.00007   2.08417
   A155       2.09276   0.00000   0.00004  -0.00011  -0.00007   2.09269
   A156       2.10617   0.00000   0.00001  -0.00002  -0.00001   2.10616
   A157       2.08412  -0.00001   0.00003  -0.00008  -0.00005   2.08408
   A158       2.09287   0.00000  -0.00004   0.00010   0.00005   2.09292
   A159       1.93802   0.00001   0.00001   0.00001   0.00002   1.93804
   A160       1.92042   0.00002  -0.00006   0.00009   0.00004   1.92046
   A161       1.92937  -0.00001   0.00006  -0.00006   0.00000   1.92937
   A162       1.88830  -0.00001  -0.00001  -0.00002  -0.00004   1.88826
   A163       1.89231   0.00001   0.00002  -0.00004  -0.00002   1.89229
   A164       1.89426  -0.00001  -0.00003   0.00002  -0.00001   1.89426
   A165       1.93752   0.00000   0.00001   0.00000   0.00001   1.93753
   A166       1.92630   0.00000  -0.00001   0.00001   0.00000   1.92629
   A167       1.92532  -0.00001   0.00003  -0.00010  -0.00007   1.92525
   A168       1.89367   0.00001  -0.00002   0.00005   0.00003   1.89370
   A169       1.88907   0.00001  -0.00002   0.00006   0.00004   1.88912
   A170       1.89075   0.00000   0.00001  -0.00001   0.00000   1.89075
   A171       2.09860   0.00001  -0.00002   0.00004   0.00002   2.09862
   A172       2.09226  -0.00001   0.00006  -0.00013  -0.00007   2.09219
   A173       2.09231   0.00000  -0.00004   0.00009   0.00005   2.09236
    D1        0.59178   0.00005   0.00733   0.00309   0.01042   0.60220
    D2       -1.57800   0.00003   0.00721   0.00288   0.01009  -1.56791
    D3        2.67805   0.00002   0.00709   0.00286   0.00994   2.68799
    D4        2.38750  -0.00001  -0.00081   0.00198   0.00117   2.38867
    D5       -1.84389   0.00000  -0.00077   0.00197   0.00120  -1.84270
    D6        0.26767   0.00000  -0.00082   0.00209   0.00127   0.26894
    D7       -2.12744   0.00000  -0.00043   0.00041  -0.00001  -2.12745
    D8        1.11103   0.00000  -0.00050   0.00066   0.00016   1.11119
    D9        0.92700  -0.00003  -0.00050  -0.00157  -0.00208   0.92493
   D10       -1.22925  -0.00005  -0.00066  -0.00155  -0.00221  -1.23146
   D11        2.99019  -0.00003  -0.00060  -0.00159  -0.00219   2.98800
   D12       -2.65251  -0.00001   0.00009  -0.00038  -0.00028  -2.65280
   D13        1.47442  -0.00004  -0.00006  -0.00035  -0.00041   1.47401
   D14       -0.58933  -0.00001   0.00000  -0.00039  -0.00039  -0.58972
   D15        2.58869   0.00001   0.00171   0.00135   0.00305   2.59174
   D16       -1.57379   0.00001   0.00166   0.00142   0.00308  -1.57071
   D17        0.46622   0.00000   0.00171   0.00131   0.00303   0.46924
   D18       -0.10442   0.00000   0.00103   0.00015   0.00118  -0.10324
   D19        2.01628   0.00000   0.00098   0.00022   0.00120   2.01748
   D20       -2.22690  -0.00001   0.00104   0.00011   0.00115  -2.22574
   D21        0.08494   0.00002  -0.00065  -0.00019  -0.00084   0.08411
   D22       -3.13442  -0.00005  -0.00180  -0.00067  -0.00247  -3.13689
   D23        2.78002   0.00004  -0.00001   0.00101   0.00100   2.78103
   D24       -0.43934  -0.00003  -0.00116   0.00053  -0.00063  -0.43997
   D25       -0.85789   0.00002   0.00136   0.00051   0.00187  -0.85602
   D26       -3.04407   0.00000   0.00131   0.00043   0.00174  -3.04232
   D27        1.19259  -0.00002   0.00133   0.00035   0.00168   1.19427
   D28        2.29696   0.00002  -0.00005  -0.00070  -0.00075   2.29621
   D29        0.11077   0.00000  -0.00009  -0.00078  -0.00087   0.10990
   D30       -1.93575  -0.00003  -0.00008  -0.00086  -0.00094  -1.93669
   D31        0.09199   0.00002   0.00016  -0.00068  -0.00052   0.09147
   D32       -3.08578  -0.00006  -0.00108  -0.00141  -0.00249  -3.08827
   D33       -3.06305   0.00002   0.00159   0.00055   0.00214  -3.06091
   D34        0.04237  -0.00006   0.00035  -0.00019   0.00016   0.04254
   D35       -1.77032  -0.00003  -0.00042  -0.00215  -0.00257  -1.77289
   D36        2.37092  -0.00002  -0.00036  -0.00226  -0.00262   2.36830
   D37        0.29034  -0.00001  -0.00015  -0.00229  -0.00244   0.28790
   D38        1.00621  -0.00002  -0.00091  -0.00183  -0.00275   1.00346
   D39       -1.13574   0.00000  -0.00086  -0.00194  -0.00280  -1.13854
   D40        3.06687   0.00000  -0.00064  -0.00198  -0.00262   3.06425
   D41       -0.15598   0.00000  -0.00073   0.00087   0.00013  -0.15584
   D42        3.04986   0.00001  -0.00079   0.00122   0.00043   3.05028
   D43       -2.92508  -0.00001  -0.00021   0.00053   0.00032  -2.92476
   D44        0.28075   0.00000  -0.00027   0.00088   0.00061   0.28137
   D45       -2.90475  -0.00003  -0.00048  -0.00141  -0.00189  -2.90665
   D46        0.31302   0.00004   0.00064  -0.00093  -0.00030   0.31272
   D47       -0.22733  -0.00001  -0.00196   0.00205   0.00009  -0.22723
   D48        2.99044   0.00005  -0.00084   0.00253   0.00169   2.99213
   D49        0.33958  -0.00001  -0.00012   0.00064   0.00053   0.34011
   D50        2.47288   0.00000  -0.00006   0.00060   0.00054   2.47343
   D51       -1.76764  -0.00001  -0.00008   0.00056   0.00048  -1.76716
   D52       -2.32446  -0.00001   0.00144  -0.00293  -0.00149  -2.32595
   D53       -0.19116   0.00000   0.00150  -0.00298  -0.00148  -0.19264
   D54        1.85150  -0.00001   0.00147  -0.00302  -0.00155   1.84995
   D55       -0.90103  -0.00003  -0.00086   0.00031  -0.00055  -0.90158
   D56        1.22859  -0.00004  -0.00095   0.00017  -0.00078   1.22781
   D57       -3.02625  -0.00005  -0.00084   0.00020  -0.00065  -3.02690
   D58        1.30288   0.00002  -0.00078   0.00041  -0.00037   1.30251
   D59       -2.85069   0.00002  -0.00088   0.00028  -0.00060  -2.85128
   D60       -0.82234   0.00001  -0.00077   0.00030  -0.00047  -0.82281
   D61       -2.96588   0.00002  -0.00074   0.00043  -0.00031  -2.96620
   D62       -0.83627   0.00001  -0.00084   0.00030  -0.00054  -0.83681
   D63        1.19208   0.00001  -0.00073   0.00032  -0.00041   1.19167
   D64       -1.07837  -0.00004  -0.00063   0.00080   0.00017  -1.07819
   D65        1.06220  -0.00002  -0.00070   0.00098   0.00028   1.06248
   D66        3.09880  -0.00003  -0.00066   0.00087   0.00022   3.09901
   D67        2.96623   0.00001  -0.00059   0.00065   0.00005   2.96628
   D68       -1.17639   0.00004  -0.00066   0.00083   0.00017  -1.17623
   D69        0.86021   0.00002  -0.00062   0.00072   0.00010   0.86030
   D70        0.96816   0.00000  -0.00068   0.00077   0.00009   0.96825
   D71        3.10873   0.00002  -0.00075   0.00096   0.00020   3.10893
   D72       -1.13786   0.00000  -0.00071   0.00085   0.00013  -1.13772
   D73        3.04757   0.00000   0.00075   0.00052   0.00128   3.04885
   D74        0.93370   0.00000   0.00079   0.00045   0.00124   0.93494
   D75       -1.17251   0.00000   0.00068   0.00053   0.00121  -1.17130
   D76       -1.06960   0.00001   0.00097   0.00050   0.00147  -1.06813
   D77        3.09971   0.00001   0.00101   0.00043   0.00143   3.10114
   D78        0.99350   0.00001   0.00090   0.00051   0.00140   0.99491
   D79        0.98335   0.00000   0.00060   0.00065   0.00125   0.98460
   D80       -1.13053  -0.00001   0.00063   0.00058   0.00121  -1.12931
   D81        3.04646  -0.00001   0.00052   0.00066   0.00118   3.04764
   D82        1.71045  -0.00003  -0.00176   0.00020  -0.00156   1.70890
   D83       -1.39562   0.00005  -0.00054   0.00092   0.00038  -1.39524
   D84       -0.49449  -0.00005  -0.00191   0.00026  -0.00164  -0.49614
   D85        2.68262   0.00003  -0.00069   0.00098   0.00029   2.68291
   D86       -2.52740  -0.00004  -0.00153   0.00011  -0.00142  -2.52883
   D87        0.64971   0.00004  -0.00031   0.00083   0.00051   0.65022
   D88        1.40844  -0.00003  -0.00260  -0.00085  -0.00345   1.40499
   D89       -2.71910  -0.00002  -0.00207  -0.00086  -0.00293  -2.72204
   D90       -0.61820   0.00000  -0.00218  -0.00042  -0.00260  -0.62080
   D91       -0.70861  -0.00001  -0.00245  -0.00072  -0.00317  -0.71178
   D92        1.44703   0.00000  -0.00192  -0.00073  -0.00266   1.44438
   D93       -2.73525   0.00002  -0.00204  -0.00029  -0.00233  -2.73758
   D94       -2.76583  -0.00002  -0.00255  -0.00066  -0.00321  -2.76904
   D95       -0.61018  -0.00001  -0.00202  -0.00068  -0.00270  -0.61288
   D96        1.49072   0.00001  -0.00213  -0.00024  -0.00237   1.48835
   D97       -1.07409   0.00000   0.00088   0.00038   0.00126  -1.07282
   D98        1.09070   0.00000   0.00087   0.00027   0.00113   1.09184
   D99       -3.13527  -0.00002   0.00076   0.00033   0.00109  -3.13418
   D100       3.01823   0.00001   0.00060   0.00079   0.00139   3.01962
   D101      -1.10016   0.00001   0.00059   0.00067   0.00126  -1.09890
   D102       0.95705   0.00000   0.00047   0.00074   0.00122   0.95826
   D103       0.90308   0.00000   0.00078   0.00030   0.00108   0.90416
   D104       3.06787   0.00001   0.00076   0.00019   0.00095   3.06882
   D105      -1.15810  -0.00001   0.00065   0.00026   0.00091  -1.15719
   D106      -1.06283  -0.00001   0.00026  -0.00064  -0.00038  -1.06321
   D107       3.13184  -0.00001   0.00027  -0.00065  -0.00039   3.13146
   D108       1.04658  -0.00001   0.00026  -0.00064  -0.00038   1.04620
   D109       1.06905   0.00001   0.00033  -0.00062  -0.00029   1.06876
   D110      -1.01946   0.00001   0.00034  -0.00064  -0.00030  -1.01976
   D111      -3.10472   0.00001   0.00033  -0.00063  -0.00030  -3.10502
   D112      -3.12551   0.00000   0.00040  -0.00071  -0.00031  -3.12582
   D113       1.06917   0.00000   0.00040  -0.00073  -0.00032   1.06885
   D114      -1.01609   0.00000   0.00040  -0.00072  -0.00032  -1.01641
   D115       0.90951   0.00000   0.00006  -0.00030  -0.00024   0.90927
   D116      -1.19546   0.00000   0.00000  -0.00028  -0.00028  -1.19573
   D117       2.99791   0.00000   0.00002  -0.00031  -0.00029   2.99762
   D118      -1.19987   0.00000   0.00009  -0.00041  -0.00031  -1.20018
   D119       2.97835  -0.00001   0.00004  -0.00039  -0.00035   2.97800
   D120       0.88854   0.00000   0.00006  -0.00042  -0.00036   0.88817
   D121       3.00521   0.00000   0.00007  -0.00032  -0.00025   3.00496
   D122       0.90025   0.00000   0.00002  -0.00030  -0.00029   0.89996
   D123      -1.18957   0.00000   0.00004  -0.00033  -0.00030  -1.18986
   D124      -1.03617   0.00000  -0.00010   0.00025   0.00015  -1.03602
   D125       1.11251   0.00000  -0.00011   0.00007  -0.00004   1.11247
   D126      -3.13793   0.00000  -0.00003   0.00013   0.00010  -3.13783
   D127       3.08742   0.00000  -0.00010   0.00044   0.00033   3.08775
   D128      -1.04708   0.00000  -0.00012   0.00026   0.00014  -1.04694
   D129       0.98567  -0.00001  -0.00003   0.00032   0.00028   0.98595
   D130       1.03776   0.00000  -0.00023   0.00042   0.00019   1.03795
   D131      -3.09674   0.00000  -0.00025   0.00024  -0.00001  -3.09674
   D132      -1.06399   0.00000  -0.00016   0.00030   0.00014  -1.06385
   D133      -1.55252   0.00002   0.00035  -0.00006   0.00028  -1.55224
   D134       1.60099   0.00003   0.00012   0.00007   0.00020   1.60118
   D135       2.58923  -0.00001   0.00040  -0.00014   0.00026   2.58949
   D136      -0.54045   0.00000   0.00018  -0.00001   0.00017  -0.54027
   D137       0.53289   0.00001   0.00041  -0.00016   0.00024   0.53313
   D138      -2.59678   0.00001   0.00018  -0.00002   0.00016  -2.59663
   D139       0.72095   0.00001  -0.00055  -0.00027  -0.00082   0.72013
   D140       2.81961   0.00000  -0.00048  -0.00032  -0.00080   2.81881
   D141      -1.40715  -0.00001  -0.00051  -0.00040  -0.00091  -1.40807
   D142      -1.38122   0.00001  -0.00058  -0.00030  -0.00088  -1.38210
   D143       0.71745   0.00001  -0.00052  -0.00034  -0.00086   0.71659
   D144       2.77386   0.00000  -0.00054  -0.00042  -0.00097   2.77290
   D145       2.84990   0.00001  -0.00059  -0.00028  -0.00087   2.84903
   D146      -1.33462   0.00000  -0.00052  -0.00033  -0.00085  -1.33547
   D147       0.72180  -0.00001  -0.00055  -0.00041  -0.00096   0.72084
   D148      -0.83525   0.00000   0.00003  -0.00004   0.00000  -0.83526
   D149      -2.96896   0.00000   0.00000   0.00005   0.00005  -2.96890
   D150       1.26150   0.00000  -0.00001   0.00008   0.00007   1.26157
   D151      -2.93073   0.00000   0.00002  -0.00004  -0.00002  -2.93076
   D152       1.21875   0.00000  -0.00001   0.00004   0.00003   1.21878
   D153      -0.83398   0.00001  -0.00002   0.00007   0.00005  -0.83394
   D154       1.28643   0.00000   0.00004  -0.00001   0.00002   1.28645
   D155      -0.84727   0.00000   0.00000   0.00008   0.00008  -0.84719
   D156      -2.90000   0.00000  -0.00001   0.00010   0.00009  -2.89991
   D157      -1.25572   0.00000   0.00021  -0.00225  -0.00205  -1.25777
   D158       1.90069  -0.00001   0.00022  -0.00237  -0.00215   1.89854
   D159       2.88778  -0.00001   0.00020  -0.00224  -0.00204   2.88574
   D160      -0.23900  -0.00001   0.00022  -0.00235  -0.00214  -0.24114
   D161       0.83069  -0.00001   0.00017  -0.00215  -0.00198   0.82871
   D162      -2.29609  -0.00001   0.00019  -0.00227  -0.00208  -2.29817
   D163      -3.12955   0.00000  -0.00010   0.00002  -0.00008  -3.12963
   D164       0.01054   0.00000  -0.00007   0.00002  -0.00005   0.01049
   D165       0.00028   0.00000   0.00012  -0.00011   0.00000   0.00028
   D166       3.14037   0.00000   0.00015  -0.00012   0.00003   3.14040
   D167       3.13025   0.00000   0.00016  -0.00005   0.00010   3.13035
   D168      -0.01722   0.00001  -0.00001   0.00004   0.00003  -0.01718
   D169       0.00050   0.00001  -0.00007   0.00008   0.00002   0.00052
   D170       3.13621   0.00001  -0.00023   0.00018  -0.00005   3.13616
   D171      -3.12573   0.00000   0.00004  -0.00012  -0.00008  -3.12581
   D172       0.02243   0.00000   0.00009  -0.00018  -0.00009   0.02233
   D173       0.00123   0.00000   0.00003   0.00000   0.00002   0.00125
   D174      -3.13379   0.00000   0.00008  -0.00007   0.00001  -3.13379
   D175       3.12425   0.00000  -0.00005   0.00011   0.00007   3.12432
   D176      -0.02044   0.00000   0.00000  -0.00003  -0.00003  -0.02047
   D177      -0.00267   0.00000  -0.00003   0.00000  -0.00003  -0.00270
   D178       3.13582   0.00000   0.00002  -0.00015  -0.00013   3.13569
   D179       2.70638  -0.00001  -0.00017  -0.00309  -0.00326   2.70312
   D180       0.66265  -0.00001  -0.00017  -0.00310  -0.00327   0.65938
   D181      -1.41998  -0.00002  -0.00021  -0.00326  -0.00347  -1.42345
   D182      -0.49673  -0.00002  -0.00011  -0.00343  -0.00354  -0.50027
   D183      -2.54045  -0.00002  -0.00011  -0.00344  -0.00355  -2.54400
   D184       1.66010  -0.00003  -0.00015  -0.00360  -0.00375   1.65635
   D185      -0.00027   0.00000  -0.00008   0.00007  -0.00001  -0.00028
   D186       3.14052   0.00000   0.00001   0.00006   0.00007   3.14059
   D187      -3.14036   0.00000  -0.00011   0.00007  -0.00004  -3.14040
   D188       0.00043   0.00000  -0.00003   0.00007   0.00004   0.00047
   D189      -0.00129   0.00000  -0.00003  -0.00001  -0.00004  -0.00133
   D190       3.13816   0.00000  -0.00009   0.00001  -0.00008   3.13808
   D191      -3.13706  -0.00001   0.00013  -0.00010   0.00003  -3.13703
   D192       0.00239  -0.00001   0.00007  -0.00009  -0.00001   0.00238
   D193       0.00122   0.00000  -0.00001   0.00001   0.00000   0.00122
   D194      -3.13828   0.00000  -0.00002   0.00003   0.00001  -3.13827
   D195       3.13622   0.00000  -0.00006   0.00007   0.00002   3.13624
   D196      -0.00328   0.00000  -0.00007   0.00009   0.00002  -0.00325
   D197       0.00167   0.00000   0.00002   0.00000   0.00002   0.00168
   D198      -3.14062   0.00000   0.00003  -0.00002   0.00001  -3.14061
   D199      -3.13683   0.00000  -0.00003   0.00015   0.00012  -3.13671
   D200       0.00407   0.00000  -0.00002   0.00013   0.00011   0.00419
   D201      -0.00052   0.00000  -0.00002   0.00001  -0.00001  -0.00053
   D202       3.14092   0.00000   0.00013  -0.00006   0.00006   3.14098
   D203      -3.14131   0.00000  -0.00010   0.00002  -0.00009  -3.14139
   D204       0.00013   0.00000   0.00004  -0.00006  -0.00001   0.00012
   D205       0.00130   0.00000   0.00007  -0.00004   0.00003   0.00133
   D206      -3.14014   0.00000  -0.00007   0.00003  -0.00004  -3.14018
   D207      -3.13814   0.00000   0.00013  -0.00006   0.00007  -3.13807
   D208       0.00360   0.00000  -0.00002   0.00002   0.00000   0.00361
   D209      -0.00224   0.00000  -0.00001  -0.00001  -0.00001  -0.00226
   D210       3.14051   0.00000  -0.00005   0.00005   0.00000   3.14051
   D211       3.13725   0.00000   0.00001  -0.00003  -0.00002   3.13723
   D212      -0.00318   0.00000  -0.00004   0.00003   0.00000  -0.00319
   D213       0.00080   0.00000   0.00000   0.00001   0.00001   0.00081
   D214       3.14124   0.00000   0.00004  -0.00005  -0.00001   3.14123
   D215      -3.14009   0.00000  -0.00001   0.00002   0.00001  -3.14008
   D216       0.00034   0.00000   0.00003  -0.00004   0.00000   0.00034
   D217      -3.06059   0.00001   0.00001   0.00020   0.00022  -3.06038
   D218       0.07349   0.00000   0.00016  -0.00001   0.00015   0.07364
   D219      -0.01610   0.00000   0.00008  -0.00005   0.00004  -0.01606
   D220       3.11798   0.00000   0.00023  -0.00025  -0.00003   3.11796
   D221       3.06453  -0.00001   0.00001  -0.00021  -0.00019   3.06434
   D222      -0.06734  -0.00001   0.00002  -0.00029  -0.00027  -0.06761
   D223       0.02375   0.00000  -0.00006   0.00004  -0.00002   0.02373
   D224      -3.10813   0.00000  -0.00005  -0.00004  -0.00009  -3.10822
   D225      -0.00272   0.00000  -0.00005   0.00002  -0.00003  -0.00275
   D226       3.14025   0.00000   0.00001   0.00003   0.00004   3.14029
   D227      -3.13687   0.00000  -0.00019   0.00022   0.00003  -3.13684
   D228       0.00609   0.00001  -0.00013   0.00023   0.00010   0.00620
   D229      -2.84563   0.00000   0.00054  -0.00192  -0.00138  -2.84701
   D230       1.34743  -0.00001   0.00059  -0.00196  -0.00137   1.34606
   D231      -0.74460   0.00000   0.00062  -0.00201  -0.00139  -0.74598
   D232       0.28832  -0.00001   0.00069  -0.00213  -0.00144   0.28688
   D233      -1.80180  -0.00001   0.00074  -0.00217  -0.00143  -1.80323
   D234       2.38936   0.00000   0.00077  -0.00222  -0.00145   2.38791
   D235      -0.01278   0.00000   0.00000  -0.00001   0.00000  -0.01278
   D236       3.13587   0.00000  -0.00003   0.00003   0.00000   3.13587
   D237       3.11925   0.00000  -0.00001   0.00008   0.00007   3.11932
   D238      -0.01529   0.00000  -0.00004   0.00012   0.00008  -0.01521
   D239       2.82022   0.00000   0.00011   0.00007   0.00018   2.82040
   D240       0.71984   0.00000   0.00014   0.00000   0.00014   0.71998
   D241      -1.36900   0.00000   0.00012   0.00008   0.00019  -1.36881
   D242      -0.31152   0.00000   0.00012  -0.00002   0.00010  -0.31141
   D243      -2.41190  -0.00001   0.00015  -0.00008   0.00007  -2.41183
   D244       1.78245   0.00000   0.00013  -0.00001   0.00012   1.78257
   D245       0.01346   0.00000   0.00000   0.00002   0.00001   0.01348
   D246      -3.13347   0.00000   0.00003   0.00003   0.00006  -3.13342
   D247      -3.12951   0.00000  -0.00006   0.00001  -0.00006  -3.12957
   D248       0.00674   0.00000  -0.00003   0.00002  -0.00002   0.00672
   D249      -0.00552   0.00000   0.00003  -0.00002   0.00001  -0.00552
   D250       3.14141   0.00000   0.00000  -0.00003  -0.00004   3.14138
   D251       3.12898   0.00000   0.00006  -0.00006   0.00000   3.12898
   D252      -0.00727   0.00000   0.00003  -0.00008  -0.00005  -0.00731
         Item               Value     Threshold  Converged?
 Maximum Force            0.000139     0.000450     YES
 RMS     Force            0.000026     0.000300     YES
 Maximum Displacement     0.048074     0.001800     NO 
 RMS     Displacement     0.007640     0.001200     NO 
 Predicted change in Energy=-2.157357D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.253101   -0.006437   -0.923548
      2          8           0       -2.640283    0.216734   -2.479289
      3          8           0       -3.523727   -2.163848    1.276893
      4          8           0        2.343999    2.306877    2.262561
      5          8           0        3.455857   -0.994198    1.589363
      6          7           0       -2.734084   -2.637662   -0.864395
      7          7           0       -3.210455    0.394981   -0.252934
      8          7           0        2.129499    1.090040    0.319900
      9          7           0       -1.756707   -3.619150    1.125878
     10          6           0       -2.807816    1.766712   -0.047541
     11          6           0       -3.712028   -1.725456   -1.425478
     12          6           0       -1.420907    2.126711   -0.607217
     13          6           0       -0.300417    1.194865   -0.171110
     14          6           0       -4.192382   -2.106632   -2.842159
     15          6           0        1.083278    1.911615   -0.244919
     16          6           0       -2.877771    2.157782    1.444406
     17          6           0       -3.148360   -0.272969   -1.446419
     18          6           0       -1.552746   -2.931005   -1.650309
     19          6           0       -0.297140   -3.216289   -0.830523
     20          6           0        1.385313    2.296675   -1.705507
     21          6           0       -2.687248   -2.756160    0.541885
     22          6           0       -5.300554   -1.160195   -3.263764
     23          6           0       -4.698441   -3.533195   -2.886411
     24          6           0       -0.617854   -4.085674    0.381861
     25          6           0       -4.258908    2.060556    1.988899
     26          6           0        2.657512    3.051711   -1.852214
     27          6           0        2.633721    1.301061    1.581409
     28          6           0       -5.120467    3.161835    1.912972
     29          6           0       -4.707130    0.879220    2.592869
     30          6           0        2.745475    4.378072   -1.411116
     31          6           0        3.773932    2.453235   -2.447245
     32          6           0        3.652931    0.310741    2.144191
     33          6           0       -6.410780    3.083608    2.433319
     34          6           0       -5.999331    0.804261    3.111646
     35          6           0       -6.852346    1.904669    3.033885
     36          6           0        3.931235    5.093387   -1.564816
     37          6           0        4.958915    3.171434   -2.601602
     38          6           0        5.039675    4.492009   -2.161484
     39          6           0        4.630259   -1.646027    1.220862
     40          6           0        4.752306   -2.045995   -0.123932
     41          6           0        5.599232   -1.995448    2.178993
     42          6           0        5.875901   -2.788897   -0.500167
     43          6           0        6.714528   -2.731554    1.763941
     44          6           0        3.715999   -1.701890   -1.123688
     45          6           0        5.453081   -1.612274    3.601752
     46          6           0        6.853256   -3.122196    0.434632
     47          1           0       -3.548019    2.423789   -0.604981
     48          1           0       -4.622465   -1.754520   -0.747967
     49          1           0       -1.489133    2.125293   -1.730035
     50          1           0       -1.183039    3.171715   -0.277577
     51          1           0       -0.473558    0.850562    0.890101
     52          1           0       -3.329653   -1.990053   -3.556406
     53          1           0        1.015736    2.859548    0.369825
     54          1           0       -3.569005   -0.091882    0.544115
     55          1           0       -2.184850    1.508663    2.043449
     56          1           0       -2.510690    3.214881    1.535205
     57          1           0       -1.790387   -3.829219   -2.291151
     58          1           0       -1.339421   -2.056504   -2.335055
     59          1           0        0.444497   -3.748265   -1.478158
     60          1           0        0.164192   -2.246453   -0.500436
     61          1           0        1.408831    1.368850   -2.337594
     62          1           0        0.535173    2.933542   -2.071473
     63          1           0       -6.170835   -1.234355   -2.568141
     64          1           0       -5.647381   -1.421972   -4.292569
     65          1           0       -4.933449   -0.105122   -3.273456
     66          1           0       -5.458022   -3.705561   -2.086098
     67          1           0       -3.866313   -4.263480   -2.746151
     68          1           0       -5.175545   -3.734527   -3.876637
     69          1           0        0.280958   -4.128117    1.060000
     70          1           0       -0.836416   -5.137408    0.033222
     71          1           0        2.247400    0.189277   -0.089541
     72          1           0       -1.682578   -3.559876    2.115375
     73          1           0       -0.517538    0.195814   -1.832842
     74          1           0       -4.774945    4.093555    1.440947
     75          1           0       -4.044243   -0.000287    2.657245
     76          1           0        1.874314    4.852925   -0.935694
     77          1           0        3.717019    1.409913   -2.792137
     78          1           0        3.481549    0.229764    3.251822
     79          1           0        4.681551    0.705044    1.940860
     80          1           0       -7.080578    3.953594    2.370302
     81          1           0       -6.344025   -0.128958    3.581399
     82          1           0       -7.870380    1.843503    3.444882
     83          1           0        3.992727    6.133588   -1.212774
     84          1           0        5.831234    2.693840   -3.071094
     85          1           0        5.974565    5.057726   -2.283198
     86          1           0        5.985654   -3.110275   -1.547053
     87          1           0        7.484199   -3.008050    2.500492
     88          1           0        3.813057   -2.338136   -2.037621
     89          1           0        3.820454   -0.629680   -1.431286
     90          1           0        2.692096   -1.851251   -0.695685
     91          1           0        6.112717   -2.235384    4.254432
     92          1           0        4.393434   -1.748146    3.934843
     93          1           0        5.732297   -0.537717    3.745403
     94          1           0        7.735552   -3.700488    0.122483
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0835598      0.0418274      0.0367276
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.1613893630 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247891692711     A.U. after   11 cycles
             Convg  =    0.6997D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000038710    0.000027340    0.000057269
      2        8          -0.000036418    0.000005303    0.000008509
      3        8           0.000030982   -0.000046695    0.000018640
      4        8          -0.000005870    0.000017132    0.000024684
      5        8          -0.000010145    0.000005850    0.000032457
      6        7          -0.000004760    0.000034803   -0.000115978
      7        7           0.000060092    0.000064852    0.000004229
      8        7           0.000017678   -0.000001120    0.000025547
      9        7           0.000056428   -0.000014374   -0.000008790
     10        6           0.000014556   -0.000014048   -0.000042424
     11        6           0.000062812   -0.000024676   -0.000045919
     12        6           0.000000421    0.000012776   -0.000012861
     13        6          -0.000021589    0.000018356   -0.000043839
     14        6          -0.000004883   -0.000002384    0.000020321
     15        6           0.000014291   -0.000039665    0.000002473
     16        6          -0.000015255    0.000015628    0.000033272
     17        6           0.000086398   -0.000007318    0.000008068
     18        6          -0.000017033    0.000021586    0.000001571
     19        6          -0.000005373    0.000003064   -0.000005511
     20        6           0.000003201   -0.000006513   -0.000010490
     21        6          -0.000085607   -0.000037653    0.000095937
     22        6          -0.000003003    0.000004332    0.000007845
     23        6           0.000003165    0.000015657    0.000018679
     24        6          -0.000065997    0.000018542   -0.000032610
     25        6           0.000042878    0.000008501   -0.000008029
     26        6          -0.000009214    0.000001360   -0.000011529
     27        6          -0.000014353   -0.000002702   -0.000041942
     28        6           0.000011213    0.000002190   -0.000000158
     29        6          -0.000030506   -0.000014704    0.000003379
     30        6          -0.000000800    0.000002235    0.000016729
     31        6           0.000008990    0.000003868   -0.000005175
     32        6           0.000022453   -0.000015593   -0.000021382
     33        6          -0.000001175    0.000009898   -0.000002748
     34        6           0.000016868   -0.000006860    0.000008131
     35        6          -0.000014757   -0.000000533   -0.000010046
     36        6          -0.000000999    0.000001361   -0.000000245
     37        6           0.000000848    0.000002269   -0.000001816
     38        6           0.000001765   -0.000001867   -0.000000840
     39        6          -0.000002996   -0.000007225   -0.000003819
     40        6          -0.000010731    0.000000850    0.000011782
     41        6           0.000039133   -0.000003496   -0.000011399
     42        6           0.000010232    0.000012865   -0.000001873
     43        6          -0.000023047   -0.000004250    0.000009478
     44        6           0.000018791   -0.000020022   -0.000019118
     45        6           0.000001865    0.000004634    0.000007877
     46        6          -0.000017472    0.000010278   -0.000009148
     47        1          -0.000003429   -0.000018874    0.000005219
     48        1           0.000026469   -0.000000276   -0.000001062
     49        1          -0.000002090   -0.000004598    0.000013380
     50        1          -0.000010221    0.000005697   -0.000001889
     51        1          -0.000001909    0.000001564   -0.000016232
     52        1           0.000004673   -0.000011243    0.000005821
     53        1          -0.000006033    0.000001648   -0.000009630
     54        1          -0.000046717   -0.000040396    0.000028523
     55        1           0.000003366    0.000006344   -0.000006980
     56        1          -0.000016056   -0.000021366   -0.000008517
     57        1           0.000000914    0.000009133   -0.000008190
     58        1          -0.000012678    0.000007074   -0.000001116
     59        1          -0.000001345   -0.000009597   -0.000000890
     60        1          -0.000019277   -0.000004012   -0.000006248
     61        1          -0.000010815   -0.000010550    0.000007641
     62        1          -0.000003273    0.000013856   -0.000005515
     63        1          -0.000002776    0.000000814   -0.000001105
     64        1          -0.000000452    0.000000722   -0.000000781
     65        1          -0.000010477   -0.000002827   -0.000000063
     66        1          -0.000003383   -0.000003016    0.000001650
     67        1           0.000001107   -0.000004189   -0.000001802
     68        1          -0.000002909   -0.000000507   -0.000005608
     69        1           0.000005582   -0.000001811   -0.000005310
     70        1           0.000013114    0.000011403    0.000009652
     71        1          -0.000008710    0.000015628   -0.000006210
     72        1          -0.000033017    0.000000172    0.000034504
     73        1          -0.000008718   -0.000009692    0.000046821
     74        1          -0.000009522   -0.000000845   -0.000004250
     75        1           0.000006706    0.000017499   -0.000020108
     76        1          -0.000002309   -0.000000069    0.000000912
     77        1           0.000001891    0.000003661    0.000001541
     78        1           0.000006445   -0.000014837   -0.000009456
     79        1           0.000000132    0.000006515    0.000015975
     80        1          -0.000003163   -0.000004062    0.000000536
     81        1          -0.000000231    0.000004102    0.000001988
     82        1           0.000001819    0.000002119    0.000002332
     83        1           0.000000194   -0.000000822   -0.000002250
     84        1          -0.000000843   -0.000001425    0.000004061
     85        1          -0.000000241   -0.000000908   -0.000001344
     86        1          -0.000001025   -0.000004697   -0.000005550
     87        1           0.000003019    0.000005502    0.000002031
     88        1          -0.000000732   -0.000012179    0.000000541
     89        1           0.000002576    0.000007379    0.000007384
     90        1          -0.000009272    0.000016149   -0.000010720
     91        1          -0.000003712   -0.000001420    0.000003198
     92        1          -0.000001625    0.000003604   -0.000001575
     93        1          -0.000006153   -0.000007261   -0.000003279
     94        1           0.000003321   -0.000002935    0.000002782
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000115978 RMS     0.000020457

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000156014 RMS     0.000017767
 Search for a local minimum.
 Step number  38 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38
 DE= -1.76D-06 DEPred=-2.16D-06 R= 8.17D-01
 SS=  1.41D+00  RLast= 2.61D-02 DXNew= 2.0928D+00 7.8323D-02
 Trust test= 8.17D-01 RLast= 2.61D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00145   0.00182   0.00205   0.00228   0.00236
     Eigenvalues ---    0.00263   0.00296   0.00302   0.00329   0.00401
     Eigenvalues ---    0.00485   0.00495   0.00511   0.00540   0.00568
     Eigenvalues ---    0.00615   0.00638   0.00720   0.00815   0.01009
     Eigenvalues ---    0.01301   0.01337   0.01400   0.01437   0.01456
     Eigenvalues ---    0.01495   0.01548   0.01597   0.01713   0.01850
     Eigenvalues ---    0.02026   0.02052   0.02084   0.02115   0.02127
     Eigenvalues ---    0.02146   0.02151   0.02155   0.02157   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02180   0.02186   0.02187
     Eigenvalues ---    0.02189   0.02192   0.02293   0.02311   0.02478
     Eigenvalues ---    0.02977   0.03117   0.03331   0.03447   0.03685
     Eigenvalues ---    0.03811   0.03981   0.04001   0.04241   0.04291
     Eigenvalues ---    0.04379   0.04428   0.04605   0.04683   0.04745
     Eigenvalues ---    0.04859   0.04994   0.05029   0.05072   0.05236
     Eigenvalues ---    0.05340   0.05402   0.05437   0.05501   0.05564
     Eigenvalues ---    0.05600   0.05634   0.05675   0.05686   0.05917
     Eigenvalues ---    0.06059   0.06445   0.06852   0.07024   0.07118
     Eigenvalues ---    0.07187   0.07245   0.07375   0.07514   0.07539
     Eigenvalues ---    0.07808   0.08044   0.08309   0.08726   0.09224
     Eigenvalues ---    0.09384   0.09501   0.09757   0.11043   0.11598
     Eigenvalues ---    0.12163   0.12592   0.12866   0.12963   0.14094
     Eigenvalues ---    0.14493   0.15356   0.15780   0.15919   0.15966
     Eigenvalues ---    0.15983   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16007   0.16009   0.16012   0.16020   0.16023
     Eigenvalues ---    0.16059   0.16182   0.16230   0.16574   0.16684
     Eigenvalues ---    0.17405   0.17764   0.19132   0.19274   0.19754
     Eigenvalues ---    0.20209   0.20568   0.21073   0.21413   0.21956
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22019   0.22077
     Eigenvalues ---    0.22323   0.22590   0.23088   0.23282   0.23418
     Eigenvalues ---    0.23462   0.23560   0.23760   0.23988   0.24688
     Eigenvalues ---    0.24707   0.24876   0.24972   0.25040   0.25117
     Eigenvalues ---    0.25320   0.25868   0.26003   0.26669   0.26912
     Eigenvalues ---    0.27732   0.28031   0.28132   0.28359   0.28705
     Eigenvalues ---    0.28855   0.29301   0.29416   0.29944   0.30252
     Eigenvalues ---    0.30617   0.31083   0.31660   0.32231   0.32564
     Eigenvalues ---    0.33242   0.34095   0.34421   0.34443   0.34520
     Eigenvalues ---    0.34589   0.34620   0.34628   0.34664   0.34692
     Eigenvalues ---    0.34706   0.34717   0.34731   0.34733   0.34745
     Eigenvalues ---    0.34751   0.34755   0.34769   0.34780   0.34788
     Eigenvalues ---    0.34793   0.34810   0.34817   0.34821   0.34826
     Eigenvalues ---    0.34838   0.34850   0.34878   0.34930   0.35010
     Eigenvalues ---    0.35389   0.35581   0.35848   0.35886   0.35909
     Eigenvalues ---    0.35933   0.35954   0.35970   0.35981   0.35991
     Eigenvalues ---    0.36003   0.36022   0.36028   0.36033   0.36053
     Eigenvalues ---    0.36093   0.37416   0.38022   0.39381   0.40797
     Eigenvalues ---    0.41061   0.42239   0.42287   0.42356   0.42951
     Eigenvalues ---    0.43162   0.43907   0.45230   0.45563   0.45847
     Eigenvalues ---    0.45970   0.46137   0.46232   0.46320   0.46428
     Eigenvalues ---    0.46548   0.46656   0.46708   0.46767   0.46806
     Eigenvalues ---    0.46933   0.47375   0.47989   0.49533   0.51007
     Eigenvalues ---    0.51982   0.54959   0.57240   0.58081   0.59784
     Eigenvalues ---    0.61946   0.82129   0.89117   0.91175   0.92219
     Eigenvalues ---    0.954191000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    38   37   36   35   34
 RFO step:  Lambda=-2.56377941D-07.
 DIIS coeffs:      1.01735      0.00716     -0.07746      0.04554      0.00741
 Iteration  1 RMS(Cart)=  0.00295479 RMS(Int)=  0.00000112
 Iteration  2 RMS(Cart)=  0.00000394 RMS(Int)=  0.00000027
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000027
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68017   0.00011  -0.00002   0.00020   0.00018   2.68035
    R2        1.82986   0.00004   0.00001   0.00007   0.00009   1.82995
    R3        2.36387   0.00001   0.00000   0.00001   0.00001   2.36388
    R4        2.38343  -0.00005  -0.00001  -0.00004  -0.00005   2.38338
    R5        2.35994  -0.00002   0.00000  -0.00004  -0.00004   2.35990
    R6        2.70537   0.00001  -0.00001   0.00002   0.00002   2.70539
    R7        2.63201  -0.00001   0.00000  -0.00003  -0.00003   2.63199
    R8        2.74063  -0.00014  -0.00005   0.00004  -0.00001   2.74062
    R9        2.73800  -0.00007  -0.00003  -0.00001  -0.00004   2.73796
   R10        2.66837  -0.00016  -0.00004  -0.00015  -0.00020   2.66818
   R11        2.72930   0.00001   0.00001  -0.00003  -0.00002   2.72928
   R12        2.58721   0.00000  -0.00001   0.00003   0.00002   2.58723
   R13        1.89056  -0.00006  -0.00002  -0.00009  -0.00010   1.89045
   R14        2.73102   0.00001   0.00002   0.00000   0.00002   2.73104
   R15        2.59807   0.00002   0.00000   0.00003   0.00003   2.59810
   R16        1.88302  -0.00001   0.00000   0.00000  -0.00001   1.88301
   R17        2.64001  -0.00002   0.00003   0.00001   0.00004   2.64005
   R18        2.71765  -0.00005  -0.00001  -0.00006  -0.00007   2.71759
   R19        1.87846  -0.00004   0.00000  -0.00004  -0.00004   1.87842
   R20        2.90696  -0.00002   0.00002  -0.00014  -0.00012   2.90684
   R21        2.91761   0.00002   0.00000  -0.00008  -0.00007   2.91754
   R22        2.14664   0.00001   0.00001  -0.00001   0.00000   2.14664
   R23        2.91718   0.00005  -0.00002   0.00017   0.00015   2.91733
   R24        2.94451  -0.00006  -0.00003   0.00003   0.00000   2.94451
   R25        2.14529  -0.00001   0.00000  -0.00002  -0.00002   2.14526
   R26        2.87463   0.00001   0.00000   0.00002   0.00002   2.87466
   R27        2.12573   0.00001   0.00001   0.00003   0.00004   2.12577
   R28        2.11892   0.00000   0.00000  -0.00001   0.00000   2.11892
   R29        2.94809   0.00003   0.00000   0.00013   0.00013   2.94821
   R30        2.13354   0.00001   0.00000   0.00002   0.00002   2.13356
   R31        2.86687   0.00002   0.00001   0.00002   0.00003   2.86690
   R32        2.86163   0.00001   0.00000   0.00009   0.00010   2.86173
   R33        2.12797   0.00001   0.00000   0.00002   0.00003   2.12800
   R34        2.91092  -0.00001   0.00000   0.00001   0.00001   2.91093
   R35        2.13886   0.00001   0.00001   0.00002   0.00003   2.13888
   R36        2.81148   0.00001   0.00000  -0.00003  -0.00003   2.81146
   R37        2.12150   0.00001   0.00000   0.00000   0.00000   2.12151
   R38        2.12159   0.00003   0.00001   0.00005   0.00006   2.12165
   R39        2.88453  -0.00002  -0.00001   0.00002   0.00002   2.88455
   R40        2.13291   0.00000   0.00000  -0.00002  -0.00002   2.13289
   R41        2.13726   0.00000   0.00000   0.00001   0.00001   2.13727
   R42        2.88365   0.00001  -0.00001   0.00004   0.00003   2.88368
   R43        2.11485   0.00000   0.00000   0.00002   0.00001   2.11486
   R44        2.12321   0.00001   0.00000   0.00001   0.00001   2.12321
   R45        2.80934  -0.00001   0.00001  -0.00004  -0.00003   2.80930
   R46        2.12201   0.00000   0.00000  -0.00001   0.00000   2.12201
   R47        2.12312   0.00000   0.00000   0.00000   0.00000   2.12312
   R48        2.11005   0.00000   0.00000   0.00000   0.00000   2.11006
   R49        2.11046   0.00000   0.00000  -0.00001  -0.00001   2.11045
   R50        2.11112   0.00001   0.00000   0.00000   0.00001   2.11113
   R51        2.11039   0.00000   0.00000  -0.00001  -0.00001   2.11038
   R52        2.10891   0.00000   0.00000   0.00000   0.00000   2.10891
   R53        2.11169   0.00000   0.00000  -0.00002  -0.00002   2.11167
   R54        2.12922   0.00001   0.00000   0.00003   0.00003   2.12926
   R55        2.13419   0.00002   0.00000   0.00004   0.00005   2.13423
   R56        2.64620   0.00001   0.00000   0.00001   0.00001   2.64621
   R57        2.64645   0.00000   0.00000  -0.00002  -0.00002   2.64643
   R58        2.64666  -0.00001   0.00000  -0.00003  -0.00003   2.64663
   R59        2.64469   0.00000   0.00000   0.00000   0.00000   2.64469
   R60        2.88841   0.00002  -0.00002   0.00007   0.00005   2.88846
   R61        2.63330   0.00001   0.00000   0.00002   0.00002   2.63331
   R62        2.07895   0.00001   0.00000   0.00001   0.00001   2.07896
   R63        2.63516   0.00000   0.00000  -0.00001  -0.00001   2.63514
   R64        2.08479   0.00000   0.00000  -0.00001  -0.00001   2.08478
   R65        2.63298   0.00000   0.00000   0.00000   0.00000   2.63299
   R66        2.07907   0.00000   0.00000   0.00000   0.00000   2.07907
   R67        2.63467   0.00000   0.00000   0.00000   0.00000   2.63468
   R68        2.07931   0.00000   0.00000   0.00001   0.00001   2.07931
   R69        2.12355   0.00000   0.00000  -0.00003  -0.00003   2.12352
   R70        2.11690  -0.00001   0.00000  -0.00004  -0.00004   2.11686
   R71        2.63585  -0.00001   0.00000  -0.00001  -0.00001   2.63584
   R72        2.07825   0.00000   0.00000   0.00000   0.00000   2.07825
   R73        2.63519   0.00001   0.00000   0.00002   0.00002   2.63521
   R74        2.07903   0.00000   0.00000   0.00000   0.00000   2.07903
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63636   0.00000   0.00000   0.00001   0.00001   2.63637
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63489   0.00000   0.00000   0.00001   0.00001   2.63490
   R79        2.07823   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66132  -0.00001   0.00000   0.00003   0.00002   2.66135
   R82        2.65842   0.00001   0.00001  -0.00003  -0.00002   2.65840
   R83        2.64286  -0.00001   0.00001  -0.00006  -0.00005   2.64281
   R84        2.79772  -0.00002   0.00000  -0.00002  -0.00002   2.79771
   R85        2.64427  -0.00002  -0.00001   0.00000  -0.00001   2.64426
   R86        2.79809  -0.00001   0.00000   0.00000  -0.00001   2.79808
   R87        2.63219  -0.00001  -0.00001   0.00000  -0.00001   2.63219
   R88        2.07982   0.00000   0.00000  -0.00001  -0.00001   2.07980
   R89        2.63134  -0.00001   0.00000  -0.00006  -0.00006   2.63128
   R90        2.07986   0.00000   0.00000   0.00000   0.00000   2.07986
   R91        2.11236   0.00000   0.00000   0.00000   0.00000   2.11236
   R92        2.11714  -0.00001   0.00000  -0.00003  -0.00003   2.11710
   R93        2.11605   0.00002   0.00001   0.00006   0.00006   2.11611
   R94        2.11225   0.00000   0.00000  -0.00001  -0.00002   2.11224
   R95        2.11469   0.00000   0.00000   0.00000   0.00001   2.11469
   R96        2.11554   0.00001   0.00000   0.00002   0.00002   2.11556
   R97        2.07896   0.00001   0.00000   0.00001   0.00001   2.07897
    A1        1.88826   0.00005  -0.00003   0.00009   0.00005   1.88832
    A2        1.99660   0.00000   0.00000  -0.00001  -0.00001   1.99658
    A3        2.05702  -0.00002  -0.00001   0.00003   0.00002   2.05703
    A4        2.04930  -0.00003   0.00001   0.00002   0.00003   2.04934
    A5        2.08999   0.00004   0.00001   0.00008   0.00009   2.09008
    A6        2.18303  -0.00004  -0.00001  -0.00018  -0.00018   2.18284
    A7        2.03624   0.00002   0.00000   0.00004   0.00004   2.03628
    A8        2.06387   0.00001   0.00000   0.00014   0.00014   2.06401
    A9        2.13750   0.00000   0.00000   0.00009   0.00010   2.13760
   A10        2.02524   0.00000   0.00002  -0.00006  -0.00005   2.02519
   A11        2.06279   0.00000  -0.00001   0.00001   0.00001   2.06280
   A12        2.10784  -0.00002  -0.00003   0.00008   0.00004   2.10788
   A13        2.01413  -0.00001  -0.00003   0.00003   0.00000   2.01413
   A14        2.06608   0.00003  -0.00001   0.00021   0.00020   2.06628
   A15        2.00631  -0.00005   0.00001  -0.00010  -0.00010   2.00621
   A16        1.94482   0.00004   0.00000   0.00008   0.00009   1.94491
   A17        1.87333   0.00001   0.00000   0.00002   0.00002   1.87334
   A18        1.91044   0.00001   0.00001  -0.00001  -0.00001   1.91043
   A19        1.84791   0.00000  -0.00002  -0.00009  -0.00010   1.84780
   A20        1.87356  -0.00001   0.00000   0.00011   0.00011   1.87367
   A21        1.99277   0.00005  -0.00002   0.00011   0.00009   1.99286
   A22        1.92580  -0.00009  -0.00002  -0.00001  -0.00003   1.92577
   A23        1.86899  -0.00001  -0.00001  -0.00012  -0.00013   1.86886
   A24        1.90753   0.00004  -0.00002   0.00011   0.00010   1.90763
   A25        1.86693  -0.00001   0.00004  -0.00007  -0.00003   1.86689
   A26        1.89864   0.00002   0.00003  -0.00003  -0.00001   1.89863
   A27        2.00032   0.00000   0.00002  -0.00002   0.00001   2.00032
   A28        1.88408   0.00000   0.00000  -0.00010  -0.00011   1.88397
   A29        1.87801  -0.00001   0.00000  -0.00001  -0.00001   1.87800
   A30        1.90717  -0.00001  -0.00001  -0.00009  -0.00010   1.90707
   A31        1.90748   0.00001   0.00000   0.00013   0.00013   1.90762
   A32        1.88334   0.00000   0.00000   0.00008   0.00008   1.88342
   A33        1.97288   0.00001  -0.00002  -0.00016  -0.00018   1.97270
   A34        1.91183   0.00001   0.00000   0.00019   0.00020   1.91202
   A35        1.81881   0.00000  -0.00001   0.00004   0.00002   1.81883
   A36        1.93726  -0.00003   0.00001   0.00003   0.00004   1.93729
   A37        1.92124   0.00000   0.00001  -0.00006  -0.00005   1.92119
   A38        1.89716   0.00000   0.00001  -0.00003  -0.00002   1.89713
   A39        1.90529   0.00001   0.00000   0.00004   0.00004   1.90533
   A40        1.94273   0.00001   0.00000   0.00007   0.00007   1.94280
   A41        1.89455   0.00000  -0.00001   0.00004   0.00003   1.89458
   A42        1.91290  -0.00001   0.00002  -0.00013  -0.00011   1.91279
   A43        1.89524   0.00000   0.00000  -0.00002  -0.00002   1.89522
   A44        1.91243   0.00000  -0.00001  -0.00001  -0.00001   1.91241
   A45        1.94165   0.00001   0.00001  -0.00003  -0.00002   1.94163
   A46        1.95060   0.00001  -0.00001  -0.00001  -0.00002   1.95059
   A47        1.88289   0.00000   0.00001   0.00003   0.00004   1.88292
   A48        1.91093  -0.00001   0.00001   0.00007   0.00007   1.91101
   A49        1.88196   0.00000  -0.00002   0.00001  -0.00001   1.88195
   A50        1.89372   0.00000   0.00000  -0.00007  -0.00007   1.89365
   A51        1.95969   0.00006   0.00002   0.00013   0.00015   1.95984
   A52        1.91900   0.00000   0.00000  -0.00003  -0.00003   1.91897
   A53        1.87741  -0.00003  -0.00002  -0.00009  -0.00010   1.87731
   A54        1.91762  -0.00003   0.00000  -0.00004  -0.00004   1.91757
   A55        1.91289  -0.00001  -0.00001  -0.00002  -0.00002   1.91287
   A56        1.87492   0.00001   0.00000   0.00004   0.00004   1.87496
   A57        2.14983   0.00002   0.00001  -0.00003  -0.00002   2.14981
   A58        2.12111   0.00002   0.00000   0.00001   0.00001   2.12112
   A59        2.01160  -0.00004  -0.00001   0.00004   0.00003   2.01163
   A60        2.00116  -0.00003  -0.00003  -0.00005  -0.00008   2.00108
   A61        1.87279   0.00001   0.00000   0.00006   0.00006   1.87286
   A62        1.90249   0.00000  -0.00001  -0.00007  -0.00008   1.90241
   A63        1.90645   0.00002   0.00001   0.00001   0.00003   1.90648
   A64        1.89074   0.00001   0.00002   0.00003   0.00005   1.89079
   A65        1.88734   0.00000   0.00001   0.00002   0.00003   1.88737
   A66        1.93938  -0.00001  -0.00003   0.00001  -0.00002   1.93936
   A67        1.89986   0.00000   0.00000   0.00003   0.00004   1.89990
   A68        1.91156  -0.00001   0.00000  -0.00007  -0.00007   1.91149
   A69        1.90523   0.00001   0.00000   0.00005   0.00005   1.90528
   A70        1.92268   0.00001   0.00002   0.00001   0.00003   1.92270
   A71        1.88412   0.00000   0.00001  -0.00003  -0.00003   1.88410
   A72        1.96961  -0.00001   0.00000  -0.00005  -0.00006   1.96955
   A73        1.90847   0.00001   0.00001   0.00009   0.00010   1.90857
   A74        1.87779  -0.00001   0.00001  -0.00002  -0.00002   1.87777
   A75        1.92428   0.00000  -0.00001  -0.00008  -0.00009   1.92419
   A76        1.90445   0.00001   0.00001   0.00008   0.00008   1.90453
   A77        1.87640   0.00000  -0.00001  -0.00001  -0.00002   1.87638
   A78        2.11644  -0.00001   0.00000   0.00009   0.00009   2.11653
   A79        2.08087  -0.00001  -0.00001  -0.00009  -0.00009   2.08078
   A80        2.08317   0.00002   0.00000   0.00005   0.00005   2.08322
   A81        1.93346   0.00000   0.00000  -0.00001   0.00000   1.93345
   A82        1.91413   0.00000   0.00000  -0.00003  -0.00003   1.91410
   A83        1.93003   0.00001   0.00000   0.00008   0.00008   1.93012
   A84        1.89261   0.00000   0.00000  -0.00001  -0.00001   1.89260
   A85        1.90101  -0.00001   0.00000  -0.00001  -0.00002   1.90100
   A86        1.89170  -0.00001   0.00000  -0.00003  -0.00003   1.89168
   A87        1.93024   0.00000   0.00000   0.00001   0.00000   1.93025
   A88        1.94294   0.00000  -0.00001   0.00002   0.00001   1.94295
   A89        1.91591   0.00000   0.00000  -0.00003  -0.00003   1.91588
   A90        1.89240   0.00000   0.00001   0.00002   0.00003   1.89243
   A91        1.89318   0.00000   0.00000  -0.00004  -0.00003   1.89315
   A92        1.88791   0.00001   0.00001   0.00001   0.00002   1.88793
   A93        1.97431  -0.00001   0.00001   0.00002   0.00003   1.97434
   A94        1.90981   0.00000   0.00000  -0.00004  -0.00003   1.90978
   A95        1.88447   0.00000  -0.00001   0.00005   0.00004   1.88451
   A96        1.90920   0.00000   0.00001  -0.00003  -0.00002   1.90918
   A97        1.90284   0.00001  -0.00001   0.00006   0.00006   1.90290
   A98        1.88084   0.00000   0.00000  -0.00008  -0.00008   1.88076
   A99        2.09431  -0.00002  -0.00001  -0.00001  -0.00002   2.09429
   A100       2.10607   0.00003   0.00001   0.00005   0.00007   2.10614
   A101       2.08274  -0.00002  -0.00001  -0.00004  -0.00004   2.08270
   A102       2.09861   0.00000   0.00001   0.00000   0.00001   2.09862
   A103       2.10299  -0.00001  -0.00001  -0.00002  -0.00003   2.10296
   A104       2.08149   0.00000   0.00000   0.00002   0.00002   2.08151
   A105       2.14006  -0.00001   0.00000   0.00004   0.00004   2.14010
   A106       2.06656   0.00003   0.00001   0.00014   0.00015   2.06671
   A107       2.07482  -0.00002  -0.00002  -0.00017  -0.00019   2.07463
   A108       2.10054   0.00001   0.00000   0.00003   0.00003   2.10057
   A109       2.08988   0.00000   0.00001   0.00003   0.00003   2.08992
   A110       2.09276  -0.00001  -0.00001  -0.00006  -0.00007   2.09269
   A111       2.09714   0.00001   0.00000   0.00002   0.00003   2.09717
   A112       2.10058   0.00001   0.00001   0.00003   0.00004   2.10062
   A113       2.08545  -0.00002  -0.00001  -0.00005  -0.00007   2.08539
   A114       2.10007   0.00000   0.00000  -0.00001  -0.00001   2.10006
   A115       2.08876   0.00000   0.00000   0.00000   0.00000   2.08876
   A116       2.09434   0.00000   0.00000   0.00001   0.00001   2.09435
   A117       2.09994   0.00000   0.00000  -0.00001  -0.00001   2.09993
   A118       2.09150   0.00000   0.00000  -0.00001  -0.00001   2.09149
   A119       2.09175   0.00000   0.00000   0.00002   0.00002   2.09176
   A120       1.93488  -0.00005  -0.00002  -0.00031  -0.00033   1.93455
   A121       1.87059   0.00002   0.00000   0.00023   0.00023   1.87082
   A122       1.95724   0.00000   0.00001  -0.00012  -0.00011   1.95713
   A123       1.88380   0.00001   0.00001   0.00007   0.00008   1.88388
   A124       1.89379   0.00002   0.00001   0.00012   0.00013   1.89391
   A125       1.92231  -0.00001   0.00000   0.00001   0.00000   1.92231
   A126       2.09597   0.00000   0.00000   0.00000   0.00000   2.09597
   A127       2.09225   0.00000   0.00000  -0.00002  -0.00002   2.09223
   A128       2.09496   0.00000   0.00000   0.00002   0.00003   2.09499
   A129       2.09865   0.00000   0.00000   0.00001   0.00001   2.09867
   A130       2.08838   0.00000   0.00000   0.00001   0.00001   2.08838
   A131       2.09615   0.00000   0.00000  -0.00002  -0.00002   2.09613
   A132       2.09132  -0.00001   0.00000  -0.00002  -0.00002   2.09130
   A133       2.09561   0.00001   0.00000   0.00003   0.00003   2.09564
   A134       2.09625   0.00000   0.00000  -0.00001  -0.00001   2.09625
   A135       2.09675   0.00000   0.00000   0.00000   0.00000   2.09675
   A136       2.09186   0.00000   0.00000   0.00000   0.00000   2.09187
   A137       2.09456   0.00000   0.00000   0.00000   0.00000   2.09456
   A138       2.09690   0.00000   0.00000  -0.00001   0.00000   2.09689
   A139       2.09176   0.00000   0.00000  -0.00001  -0.00001   2.09175
   A140       2.09453   0.00000   0.00000   0.00001   0.00001   2.09454
   A141       2.09122   0.00000   0.00000   0.00000   0.00000   2.09121
   A142       2.09570   0.00000   0.00000  -0.00001  -0.00001   2.09569
   A143       2.09627   0.00000   0.00000   0.00001   0.00001   2.09628
   A144       2.04725  -0.00002   0.00001  -0.00011  -0.00009   2.04715
   A145       2.11394   0.00001  -0.00002   0.00009   0.00007   2.11401
   A146       2.11780   0.00001   0.00000   0.00001   0.00002   2.11782
   A147       2.06846   0.00000   0.00000   0.00000   0.00000   2.06846
   A148       2.11549  -0.00001   0.00000  -0.00005  -0.00005   2.11544
   A149       2.09921   0.00001   0.00000   0.00005   0.00006   2.09926
   A150       2.06876  -0.00001   0.00000  -0.00003  -0.00003   2.06873
   A151       2.12019  -0.00001  -0.00002   0.00003   0.00002   2.12021
   A152       2.09419   0.00002   0.00002   0.00000   0.00002   2.09420
   A153       2.10632   0.00000   0.00000  -0.00001  -0.00001   2.10630
   A154       2.08417   0.00000   0.00000   0.00004   0.00004   2.08421
   A155       2.09269   0.00000   0.00000  -0.00003  -0.00003   2.09267
   A156       2.10616   0.00000   0.00000   0.00002   0.00002   2.10618
   A157       2.08408   0.00000   0.00000  -0.00004  -0.00004   2.08404
   A158       2.09292   0.00000   0.00000   0.00002   0.00002   2.09294
   A159       1.93804   0.00000   0.00000   0.00001   0.00000   1.93805
   A160       1.92046   0.00001   0.00001   0.00002   0.00003   1.92049
   A161       1.92937  -0.00001   0.00000   0.00000   0.00000   1.92937
   A162       1.88826  -0.00001  -0.00001  -0.00005  -0.00007   1.88820
   A163       1.89229   0.00001   0.00001   0.00004   0.00005   1.89234
   A164       1.89426   0.00000   0.00000  -0.00002  -0.00001   1.89424
   A165       1.93753   0.00000   0.00000  -0.00001  -0.00001   1.93751
   A166       1.92629   0.00000   0.00000   0.00003   0.00003   1.92633
   A167       1.92525  -0.00001   0.00000  -0.00004  -0.00004   1.92520
   A168       1.89370   0.00000   0.00001  -0.00001  -0.00001   1.89370
   A169       1.88912   0.00000   0.00000   0.00002   0.00002   1.88914
   A170       1.89075   0.00000  -0.00001   0.00001   0.00001   1.89076
   A171       2.09862   0.00001   0.00000   0.00002   0.00002   2.09864
   A172       2.09219   0.00000   0.00000  -0.00005  -0.00005   2.09214
   A173       2.09236   0.00000   0.00000   0.00003   0.00003   2.09239
    D1        0.60220  -0.00001   0.00022   0.00120   0.00142   0.60362
    D2       -1.56791   0.00001   0.00022   0.00114   0.00136  -1.56656
    D3        2.68799   0.00000   0.00022   0.00106   0.00128   2.68927
    D4        2.38867   0.00001  -0.00001   0.00228   0.00228   2.39094
    D5       -1.84270   0.00001  -0.00001   0.00234   0.00233  -1.84037
    D6        0.26894   0.00002  -0.00001   0.00243   0.00242   0.27136
    D7       -2.12745   0.00003   0.00001   0.00095   0.00097  -2.12648
    D8        1.11119   0.00003   0.00006   0.00098   0.00104   1.11223
    D9        0.92493   0.00000  -0.00008   0.00009   0.00002   0.92494
   D10       -1.23146  -0.00002  -0.00003  -0.00013  -0.00016  -1.23162
   D11        2.98800   0.00002  -0.00004  -0.00002  -0.00006   2.98794
   D12       -2.65280   0.00000  -0.00005   0.00043   0.00037  -2.65242
   D13        1.47401  -0.00002  -0.00001   0.00020   0.00020   1.47420
   D14       -0.58972   0.00001  -0.00002   0.00032   0.00030  -0.58943
   D15        2.59174  -0.00004  -0.00010  -0.00037  -0.00046   2.59128
   D16       -1.57071  -0.00003  -0.00010  -0.00034  -0.00043  -1.57115
   D17        0.46924  -0.00002  -0.00009  -0.00032  -0.00041   0.46883
   D18       -0.10324  -0.00001  -0.00012  -0.00069  -0.00081  -0.10406
   D19        2.01748   0.00000  -0.00012  -0.00066  -0.00078   2.01670
   D20       -2.22574   0.00000  -0.00012  -0.00065  -0.00076  -2.22651
   D21        0.08411   0.00000   0.00007  -0.00042  -0.00035   0.08376
   D22       -3.13689   0.00002  -0.00001   0.00029   0.00028  -3.13661
   D23        2.78103  -0.00002   0.00009  -0.00010  -0.00001   2.78102
   D24       -0.43997   0.00000   0.00000   0.00062   0.00062  -0.43935
   D25       -0.85602   0.00001  -0.00002   0.00023   0.00021  -0.85581
   D26       -3.04232   0.00001  -0.00004   0.00026   0.00022  -3.04210
   D27        1.19427  -0.00001  -0.00004   0.00007   0.00003   1.19430
   D28        2.29621   0.00001   0.00012   0.00038   0.00050   2.29670
   D29        0.10990   0.00000   0.00010   0.00040   0.00051   0.11041
   D30       -1.93669  -0.00001   0.00010   0.00022   0.00032  -1.93637
   D31        0.09147  -0.00003  -0.00007  -0.00051  -0.00058   0.09089
   D32       -3.08827  -0.00003   0.00005   0.00008   0.00014  -3.08813
   D33       -3.06091  -0.00002  -0.00021  -0.00066  -0.00087  -3.06178
   D34        0.04254  -0.00003  -0.00009  -0.00007  -0.00016   0.04238
   D35       -1.77289  -0.00001   0.00011  -0.00136  -0.00125  -1.77414
   D36        2.36830   0.00000   0.00009  -0.00141  -0.00132   2.36698
   D37        0.28790   0.00000   0.00009  -0.00134  -0.00125   0.28665
   D38        1.00346   0.00000   0.00015  -0.00124  -0.00109   1.00237
   D39       -1.13854   0.00000   0.00014  -0.00129  -0.00116  -1.13969
   D40        3.06425   0.00000   0.00013  -0.00122  -0.00109   3.06317
   D41       -0.15584   0.00001   0.00005   0.00081   0.00086  -0.15499
   D42        3.05028   0.00001   0.00000   0.00083   0.00083   3.05111
   D43       -2.92476   0.00001   0.00000   0.00070   0.00070  -2.92406
   D44        0.28137   0.00001  -0.00005   0.00072   0.00067   0.28204
   D45       -2.90665   0.00002   0.00001   0.00065   0.00066  -2.90599
   D46        0.31272   0.00001   0.00010  -0.00006   0.00004   0.31275
   D47       -0.22723   0.00002  -0.00014   0.00141   0.00127  -0.22597
   D48        2.99213   0.00000  -0.00006   0.00070   0.00064   2.99277
   D49        0.34011  -0.00001  -0.00007  -0.00033  -0.00041   0.33971
   D50        2.47343  -0.00001  -0.00005  -0.00038  -0.00043   2.47299
   D51       -1.76716  -0.00001  -0.00006  -0.00046  -0.00052  -1.76769
   D52       -2.32595   0.00000   0.00010  -0.00107  -0.00098  -2.32693
   D53       -0.19264   0.00000   0.00012  -0.00112  -0.00101  -0.19365
   D54        1.84995   0.00000   0.00011  -0.00121  -0.00110   1.84886
   D55       -0.90158  -0.00001   0.00010   0.00027   0.00037  -0.90122
   D56        1.22781  -0.00001   0.00010   0.00007   0.00017   1.22798
   D57       -3.02690  -0.00002   0.00009   0.00011   0.00020  -3.02670
   D58        1.30251   0.00002   0.00011   0.00029   0.00040   1.30291
   D59       -2.85128   0.00001   0.00011   0.00010   0.00021  -2.85108
   D60       -0.82281   0.00001   0.00010   0.00014   0.00024  -0.82257
   D61       -2.96620   0.00001   0.00011   0.00037   0.00047  -2.96573
   D62       -0.83681   0.00001   0.00010   0.00017   0.00027  -0.83653
   D63        1.19167   0.00000   0.00009   0.00021   0.00030   1.19198
   D64       -1.07819  -0.00002   0.00008   0.00075   0.00083  -1.07736
   D65        1.06248  -0.00001   0.00009   0.00077   0.00086   1.06334
   D66        3.09901  -0.00002   0.00009   0.00075   0.00083   3.09985
   D67        2.96628   0.00001   0.00007   0.00083   0.00090   2.96718
   D68       -1.17623   0.00002   0.00008   0.00085   0.00093  -1.17530
   D69        0.86030   0.00001   0.00007   0.00083   0.00090   0.86120
   D70        0.96825   0.00001   0.00008   0.00088   0.00097   0.96922
   D71        3.10893   0.00001   0.00010   0.00090   0.00100   3.10993
   D72       -1.13772   0.00001   0.00009   0.00088   0.00097  -1.13675
   D73        3.04885   0.00002  -0.00004  -0.00026  -0.00030   3.04855
   D74        0.93494   0.00002  -0.00006  -0.00018  -0.00023   0.93470
   D75       -1.17130   0.00002  -0.00004  -0.00024  -0.00028  -1.17158
   D76       -1.06813  -0.00004  -0.00009  -0.00010  -0.00019  -1.06833
   D77        3.10114  -0.00003  -0.00011  -0.00002  -0.00013   3.10101
   D78        0.99491  -0.00003  -0.00009  -0.00008  -0.00018   0.99473
   D79        0.98460   0.00000  -0.00005  -0.00012  -0.00017   0.98443
   D80       -1.12931   0.00001  -0.00007  -0.00004  -0.00010  -1.12942
   D81        3.04764   0.00001  -0.00005  -0.00010  -0.00015   3.04749
   D82        1.70890   0.00004   0.00027   0.00079   0.00107   1.70996
   D83       -1.39524   0.00004   0.00015   0.00021   0.00036  -1.39488
   D84       -0.49614   0.00000   0.00032   0.00058   0.00090  -0.49524
   D85        2.68291   0.00001   0.00020   0.00000   0.00020   2.68311
   D86       -2.52883  -0.00002   0.00027   0.00062   0.00089  -2.52794
   D87        0.65022  -0.00001   0.00015   0.00004   0.00019   0.65041
   D88        1.40499   0.00000  -0.00003  -0.00018  -0.00021   1.40478
   D89       -2.72204   0.00000  -0.00003  -0.00002  -0.00005  -2.72209
   D90       -0.62080  -0.00001  -0.00001  -0.00008  -0.00009  -0.62089
   D91       -0.71178   0.00000  -0.00003   0.00003   0.00000  -0.71179
   D92        1.44438   0.00001  -0.00004   0.00019   0.00015   1.44453
   D93       -2.73758   0.00000  -0.00001   0.00013   0.00011  -2.73746
   D94       -2.76904   0.00000  -0.00002  -0.00010  -0.00012  -2.76916
   D95       -0.61288   0.00000  -0.00003   0.00006   0.00004  -0.61285
   D96        1.48835  -0.00001   0.00000   0.00000   0.00000   1.48835
   D97       -1.07282   0.00000   0.00004   0.00087   0.00090  -1.07192
   D98        1.09184   0.00001   0.00004   0.00088   0.00092   1.09276
   D99       -3.13418   0.00000   0.00004   0.00084   0.00087  -3.13330
   D100       3.01962   0.00000   0.00005   0.00091   0.00096   3.02058
   D101      -1.09890   0.00000   0.00006   0.00093   0.00098  -1.09792
   D102       0.95826   0.00000   0.00005   0.00088   0.00093   0.95920
   D103       0.90416   0.00001   0.00003   0.00099   0.00102   0.90518
   D104       3.06882   0.00001   0.00003   0.00101   0.00104   3.06986
   D105      -1.15719   0.00000   0.00003   0.00096   0.00099  -1.15620
   D106      -1.06321   0.00000   0.00001  -0.00006  -0.00004  -1.06326
   D107       3.13146   0.00000   0.00001  -0.00002  -0.00001   3.13145
   D108       1.04620   0.00000   0.00001  -0.00002  -0.00001   1.04619
   D109       1.06876   0.00000   0.00002  -0.00002   0.00000   1.06876
   D110      -1.01976   0.00000   0.00002   0.00001   0.00003  -1.01973
   D111      -3.10502   0.00000   0.00002   0.00002   0.00003  -3.10498
   D112      -3.12582   0.00000   0.00003  -0.00011  -0.00009  -3.12591
   D113       1.06885   0.00000   0.00002  -0.00008  -0.00006   1.06879
   D114      -1.01641   0.00000   0.00002  -0.00008  -0.00006  -1.01647
   D115       0.90927   0.00000   0.00007  -0.00042  -0.00035   0.90891
   D116      -1.19573   0.00000   0.00007  -0.00047  -0.00040  -1.19614
   D117       2.99762   0.00000   0.00007  -0.00048  -0.00042   2.99721
   D118      -1.20018   0.00000   0.00006  -0.00044  -0.00038  -1.20056
   D119       2.97800   0.00000   0.00006  -0.00049  -0.00043   2.97758
   D120       0.88817   0.00000   0.00006  -0.00050  -0.00044   0.88773
   D121       3.00496   0.00000   0.00005  -0.00033  -0.00028   3.00468
   D122       0.89996   0.00000   0.00005  -0.00038  -0.00033   0.89963
   D123      -1.18986   0.00000   0.00005  -0.00039  -0.00035  -1.19021
   D124      -1.03602   0.00000  -0.00002  -0.00010  -0.00013  -1.03615
   D125       1.11247   0.00000  -0.00003  -0.00018  -0.00021   1.11226
   D126      -3.13783   0.00000  -0.00003  -0.00015  -0.00019  -3.13801
   D127       3.08775   0.00000  -0.00003  -0.00011  -0.00014   3.08761
   D128      -1.04694  -0.00001  -0.00004  -0.00018  -0.00022  -1.04716
   D129       0.98595  -0.00001  -0.00004  -0.00016  -0.00020   0.98575
   D130       1.03795   0.00000  -0.00002  -0.00011  -0.00013   1.03782
   D131      -3.09674   0.00000  -0.00003  -0.00019  -0.00022  -3.09696
   D132      -1.06385   0.00000  -0.00003  -0.00016  -0.00019  -1.06405
   D133      -1.55224   0.00001  -0.00002   0.00035   0.00033  -1.55191
   D134       1.60118   0.00002  -0.00001   0.00030   0.00030   1.60148
   D135       2.58949  -0.00001  -0.00004   0.00033   0.00030   2.58978
   D136      -0.54027   0.00000  -0.00002   0.00028   0.00026  -0.54001
   D137       0.53313   0.00000  -0.00003   0.00032   0.00029   0.53342
   D138      -2.59663   0.00001  -0.00002   0.00027   0.00025  -2.59638
   D139       0.72013   0.00001   0.00014   0.00028   0.00042   0.72054
   D140       2.81881   0.00001   0.00013   0.00037   0.00049   2.81931
   D141      -1.40807   0.00001   0.00013   0.00031   0.00044  -1.40762
   D142      -1.38210   0.00000   0.00015   0.00022   0.00037  -1.38173
   D143       0.71659   0.00001   0.00014   0.00031   0.00045   0.71704
   D144       2.77290   0.00000   0.00014   0.00025   0.00040   2.77329
   D145       2.84903  -0.00001   0.00012   0.00018   0.00029   2.84932
   D146      -1.33547  -0.00001   0.00011   0.00027   0.00037  -1.33510
   D147       0.72084  -0.00001   0.00011   0.00021   0.00032   0.72116
   D148      -0.83526   0.00000  -0.00005   0.00024   0.00019  -0.83507
   D149      -2.96890   0.00001  -0.00006   0.00029   0.00023  -2.96868
   D150       1.26157   0.00001  -0.00006   0.00036   0.00030   1.26186
   D151      -2.93076   0.00000  -0.00004   0.00016   0.00012  -2.93064
   D152       1.21878   0.00000  -0.00005   0.00021   0.00015   1.21893
   D153      -0.83394   0.00000  -0.00005   0.00028   0.00023  -0.83371
   D154       1.28645  -0.00001  -0.00006   0.00016   0.00011   1.28656
   D155      -0.84719  -0.00001  -0.00007   0.00022   0.00014  -0.84705
   D156      -2.89991  -0.00001  -0.00007   0.00029   0.00021  -2.89970
   D157      -1.25777   0.00000  -0.00003  -0.00243  -0.00246  -1.26023
   D158       1.89854   0.00000  -0.00004  -0.00250  -0.00254   1.89600
   D159       2.88574  -0.00001  -0.00003  -0.00245  -0.00249   2.88325
   D160      -0.24114  -0.00001  -0.00004  -0.00252  -0.00256  -0.24370
   D161       0.82871  -0.00001  -0.00003  -0.00244  -0.00246   0.82625
   D162      -2.29817  -0.00001  -0.00004  -0.00250  -0.00254  -2.30071
   D163      -3.12963   0.00000   0.00000  -0.00007  -0.00008  -3.12971
   D164       0.01049   0.00000   0.00000  -0.00004  -0.00004   0.01044
   D165       0.00028   0.00000  -0.00001  -0.00002  -0.00004   0.00025
   D166       3.14040   0.00000  -0.00001   0.00001   0.00000   3.14040
   D167       3.13035   0.00000   0.00001   0.00009   0.00010   3.13045
   D168      -0.01718   0.00001   0.00003   0.00022   0.00025  -0.01694
   D169       0.00052   0.00000   0.00002   0.00004   0.00006   0.00057
   D170       3.13616   0.00001   0.00004   0.00017   0.00021   3.13637
   D171      -3.12581   0.00000  -0.00001  -0.00007  -0.00008  -3.12589
   D172       0.02233   0.00000  -0.00002  -0.00007  -0.00009   0.02225
   D173       0.00125   0.00000   0.00000   0.00000   0.00000   0.00125
   D174      -3.13379   0.00000  -0.00001  -0.00001  -0.00001  -3.13380
   D175       3.12432   0.00000   0.00001   0.00003   0.00004   3.12436
   D176      -0.02047   0.00000   0.00000   0.00000   0.00000  -0.02047
   D177      -0.00270   0.00000   0.00000  -0.00003  -0.00003  -0.00274
   D178       3.13569   0.00000  -0.00001  -0.00006  -0.00007   3.13562
   D179       2.70312   0.00001   0.00016  -0.00206  -0.00190   2.70122
   D180       0.65938   0.00000   0.00016  -0.00221  -0.00204   0.65734
   D181      -1.42345  -0.00001   0.00016  -0.00232  -0.00216  -1.42561
   D182      -0.50027   0.00001   0.00021  -0.00208  -0.00187  -0.50214
   D183      -2.54400   0.00000   0.00021  -0.00223  -0.00202  -2.54602
   D184       1.65635  -0.00001   0.00021  -0.00234  -0.00214   1.65421
   D185      -0.00028   0.00000   0.00000   0.00000   0.00000  -0.00027
   D186       3.14059   0.00000   0.00000   0.00007   0.00007   3.14066
   D187      -3.14040   0.00000   0.00000  -0.00003  -0.00003  -3.14042
   D188       0.00047   0.00000   0.00000   0.00004   0.00004   0.00051
   D189      -0.00133   0.00000  -0.00001  -0.00004  -0.00004  -0.00137
   D190       3.13808   0.00000  -0.00001  -0.00002  -0.00003   3.13805
   D191      -3.13703  -0.00001  -0.00003  -0.00016  -0.00019  -3.13722
   D192       0.00238  -0.00001  -0.00003  -0.00015  -0.00018   0.00220
   D193       0.00122   0.00000   0.00000   0.00002   0.00003   0.00125
   D194      -3.13827   0.00000   0.00000   0.00001   0.00002  -3.13826
   D195       3.13624   0.00000   0.00001   0.00003   0.00004   3.13628
   D196      -0.00325   0.00000   0.00001   0.00002   0.00003  -0.00323
   D197       0.00168   0.00000   0.00000   0.00005   0.00005   0.00173
   D198      -3.14061   0.00000   0.00000   0.00007   0.00007  -3.14054
   D199      -3.13671   0.00000   0.00001   0.00007   0.00009  -3.13662
   D200       0.00419   0.00000   0.00001   0.00010   0.00011   0.00430
   D201      -0.00053   0.00000   0.00001   0.00000   0.00001  -0.00052
   D202       3.14098   0.00000   0.00000   0.00006   0.00006   3.14104
   D203      -3.14139   0.00000   0.00001  -0.00007  -0.00006  -3.14145
   D204       0.00012   0.00000   0.00000  -0.00001  -0.00001   0.00011
   D205       0.00133   0.00000   0.00000   0.00002   0.00001   0.00134
   D206      -3.14018   0.00000   0.00000  -0.00004  -0.00004  -3.14022
   D207      -3.13807   0.00000  -0.00001   0.00000   0.00000  -3.13807
   D208       0.00361   0.00000   0.00000  -0.00005  -0.00005   0.00356
   D209      -0.00226   0.00000   0.00000  -0.00001  -0.00001  -0.00227
   D210       3.14051   0.00000   0.00001  -0.00003  -0.00003   3.14048
   D211       3.13723   0.00000   0.00000   0.00000   0.00000   3.13723
   D212      -0.00319   0.00000   0.00000  -0.00002  -0.00002  -0.00320
   D213       0.00081   0.00000   0.00000  -0.00002  -0.00002   0.00079
   D214       3.14123   0.00000  -0.00001   0.00000  -0.00001   3.14122
   D215      -3.14008   0.00000   0.00000  -0.00005  -0.00005  -3.14013
   D216       0.00034   0.00000  -0.00001  -0.00003  -0.00003   0.00030
   D217      -3.06038   0.00001   0.00005   0.00008   0.00013  -3.06025
   D218       0.07364   0.00001   0.00005   0.00024   0.00029   0.07393
   D219      -0.01606   0.00000   0.00001   0.00005   0.00006  -0.01601
   D220       3.11796   0.00001   0.00000   0.00022   0.00022   3.11818
   D221       3.06434  -0.00001  -0.00006  -0.00011  -0.00017   3.06417
   D222      -0.06761  -0.00001  -0.00005  -0.00006  -0.00011  -0.06773
   D223       0.02373   0.00000  -0.00001  -0.00008  -0.00009   0.02364
   D224      -3.10822   0.00000   0.00000  -0.00003  -0.00003  -3.10825
   D225      -0.00275   0.00000   0.00000   0.00001   0.00001  -0.00274
   D226       3.14029   0.00000   0.00002   0.00012   0.00014   3.14043
   D227      -3.13684   0.00000   0.00001  -0.00016  -0.00015  -3.13700
   D228       0.00620   0.00000   0.00002  -0.00004  -0.00002   0.00618
   D229      -2.84701  -0.00001   0.00004  -0.00096  -0.00092  -2.84793
   D230       1.34606   0.00000   0.00005  -0.00091  -0.00086   1.34520
   D231      -0.74598   0.00000   0.00004  -0.00090  -0.00086  -0.74684
   D232       0.28688   0.00000   0.00003  -0.00079  -0.00076   0.28612
   D233      -1.80323   0.00000   0.00004  -0.00074  -0.00070  -1.80393
   D234       2.38791   0.00000   0.00003  -0.00073  -0.00070   2.38721
   D235      -0.01278   0.00000   0.00001   0.00004   0.00005  -0.01273
   D236       3.13587   0.00000   0.00002   0.00011   0.00014   3.13601
   D237       3.11932   0.00000   0.00000  -0.00001   0.00000   3.11931
   D238      -0.01521   0.00000   0.00002   0.00006   0.00008  -0.01513
   D239       2.82040   0.00000  -0.00002   0.00018   0.00016   2.82056
   D240       0.71998   0.00000  -0.00003   0.00018   0.00015   0.72014
   D241      -1.36881   0.00000  -0.00002   0.00017   0.00015  -1.36866
   D242      -0.31141   0.00000  -0.00001   0.00023   0.00022  -0.31119
   D243      -2.41183   0.00000  -0.00002   0.00023   0.00021  -2.41162
   D244       1.78257   0.00000  -0.00001   0.00022   0.00021   1.78277
   D245       0.01348   0.00000   0.00000  -0.00004  -0.00004   0.01343
   D246      -3.13342   0.00000   0.00000   0.00003   0.00003  -3.13339
   D247      -3.12957  -0.00001  -0.00002  -0.00016  -0.00018  -3.12975
   D248       0.00672   0.00000  -0.00002  -0.00009  -0.00011   0.00661
   D249      -0.00552   0.00000   0.00000   0.00001   0.00001  -0.00550
   D250       3.14138   0.00000   0.00000  -0.00005  -0.00006   3.14132
   D251       3.12898   0.00000  -0.00002  -0.00006  -0.00007   3.12890
   D252      -0.00731   0.00000  -0.00002  -0.00012  -0.00014  -0.00746
         Item               Value     Threshold  Converged?
 Maximum Force            0.000156     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.014451     0.001800     NO 
 RMS     Displacement     0.002953     0.001200     NO 
 Predicted change in Energy=-4.245004D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.253133   -0.004939   -0.923464
      2          8           0       -2.638838    0.218533   -2.479398
      3          8           0       -3.524266   -2.164601    1.275064
      4          8           0        2.345304    2.305881    2.264035
      5          8           0        3.455861   -0.994450    1.587568
      6          7           0       -2.732085   -2.636978   -0.865541
      7          7           0       -3.210108    0.395024   -0.253181
      8          7           0        2.129327    1.090936    0.320328
      9          7           0       -1.756327   -3.618813    1.125310
     10          6           0       -2.808314    1.766879   -0.047034
     11          6           0       -3.709848   -1.725008   -1.427309
     12          6           0       -1.421399    2.127720   -0.605981
     13          6           0       -0.300728    1.195933   -0.170177
     14          6           0       -4.188755   -2.105847   -2.844656
     15          6           0        1.082844    1.913156   -0.243090
     16          6           0       -2.879070    2.157388    1.444982
     17          6           0       -3.146818   -0.272256   -1.446991
     18          6           0       -1.549847   -2.929584   -1.650340
     19          6           0       -0.294862   -3.213964   -0.829274
     20          6           0        1.384665    2.300595   -1.703095
     21          6           0       -2.686869   -2.756261    0.540622
     22          6           0       -5.297194   -1.159954   -3.266833
     23          6           0       -4.693970   -3.532727   -2.890102
     24          6           0       -0.616136   -4.083956    0.382546
     25          6           0       -4.260089    2.058212    1.989388
     26          6           0        2.656582    3.056301   -1.848608
     27          6           0        2.634763    1.300927    1.581542
     28          6           0       -5.123195    3.158281    1.913361
     29          6           0       -4.706757    0.876290    2.593336
     30          6           0        2.743220    4.382933   -1.408108
     31          6           0        3.774106    2.458112   -2.441851
     32          6           0        3.655004    0.310334    2.142043
     33          6           0       -6.413478    3.078269    2.433533
     34          6           0       -5.998923    0.799516    3.111917
     35          6           0       -6.853487    1.898727    3.034041
     36          6           0        3.928787    5.098824   -1.560629
     37          6           0        4.958885    3.176893   -2.595075
     38          6           0        5.038340    4.497748   -2.155544
     39          6           0        4.629195   -1.648026    1.218812
     40          6           0        4.750600   -2.047351   -0.126244
     41          6           0        5.597486   -1.999761    2.176773
     42          6           0        5.872839   -2.792044   -0.502875
     43          6           0        6.711430   -2.737663    1.761300
     44          6           0        3.715052   -1.700502   -1.125826
     45          6           0        5.451965   -1.617205    3.599759
     46          6           0        6.849504   -3.127725    0.431787
     47          1           0       -3.548516    2.423794   -0.604668
     48          1           0       -4.620898   -1.754817   -0.750672
     49          1           0       -1.489328    2.126844   -1.728838
     50          1           0       -1.184070    3.172631   -0.275663
     51          1           0       -0.474095    0.850921    0.890779
     52          1           0       -3.325488   -1.988398   -3.558131
     53          1           0        1.015149    2.860156    0.373099
     54          1           0       -3.569132   -0.092245    0.543337
     55          1           0       -2.185356    1.509021    2.043924
     56          1           0       -2.513401    3.214985    1.536059
     57          1           0       -1.786245   -3.827966   -2.291383
     58          1           0       -1.336515   -2.054917   -2.334876
     59          1           0        0.448009   -3.745043   -1.476243
     60          1           0        0.165181   -2.243759   -0.498454
     61          1           0        1.408593    1.373819   -2.336701
     62          1           0        0.534239    2.937672   -2.068033
     63          1           0       -6.168060   -1.235036   -2.572041
     64          1           0       -5.642902   -1.421520   -4.296065
     65          1           0       -4.930869   -0.104598   -3.275749
     66          1           0       -5.453901   -3.706048   -2.090336
     67          1           0       -3.861496   -4.262624   -2.749884
     68          1           0       -5.170439   -3.733653   -3.880707
     69          1           0        0.281919   -4.125580    1.061767
     70          1           0       -0.833100   -5.135905    0.033479
     71          1           0        2.246696    0.190468   -0.089904
     72          1           0       -1.683904   -3.560436    2.114965
     73          1           0       -0.516252    0.198081   -1.833017
     74          1           0       -4.778969    4.090502    1.441365
     75          1           0       -4.042642   -0.002262    2.658007
     76          1           0        1.871163    4.857554   -0.934100
     77          1           0        3.718224    1.414548   -2.786190
     78          1           0        3.486370    0.229588    3.250097
     79          1           0        4.683308    0.704037    1.936076
     80          1           0       -7.084476    3.947320    2.370351
     81          1           0       -6.342381   -0.134182    3.581629
     82          1           0       -7.871502    1.836099    3.444862
     83          1           0        3.989249    6.139244   -1.209050
     84          1           0        5.832058    2.699540   -3.063227
     85          1           0        5.973066    5.063933   -2.276349
     86          1           0        5.982181   -3.112851   -1.549972
     87          1           0        7.480500   -3.016093    2.497749
     88          1           0        3.811494   -2.335665   -2.040580
     89          1           0        3.821071   -0.628066   -1.432033
     90          1           0        2.690795   -1.848976   -0.698275
     91          1           0        6.110581   -2.241790    4.252046
     92          1           0        4.392103   -1.751528    3.932803
     93          1           0        5.732961   -0.543182    3.744012
     94          1           0        7.730767   -3.707405    0.119281
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0835352      0.0418458      0.0367299
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.2643138310 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247892307914     A.U. after   10 cycles
             Convg  =    0.7408D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000012710   -0.000030705   -0.000028025
      2        8          -0.000006894    0.000009456    0.000009403
      3        8          -0.000008745    0.000007522   -0.000000558
      4        8          -0.000002925    0.000005859    0.000012903
      5        8          -0.000005782    0.000028797    0.000021022
      6        7          -0.000050987    0.000018833   -0.000029099
      7        7           0.000051944    0.000041029    0.000032716
      8        7          -0.000006988   -0.000005717    0.000022600
      9        7           0.000009681    0.000002009    0.000017005
     10        6           0.000003175    0.000006981   -0.000034072
     11        6           0.000058007   -0.000020477   -0.000012323
     12        6           0.000020086   -0.000037884   -0.000003361
     13        6          -0.000004431    0.000000567    0.000007935
     14        6           0.000015894    0.000007005   -0.000001591
     15        6           0.000016954    0.000012328    0.000021384
     16        6          -0.000010831    0.000009476    0.000004541
     17        6           0.000005024    0.000024767    0.000036617
     18        6          -0.000006359    0.000014066   -0.000000660
     19        6          -0.000006615    0.000007712   -0.000002331
     20        6          -0.000008384    0.000012349    0.000001081
     21        6           0.000009624   -0.000080140    0.000026252
     22        6           0.000006458    0.000002240   -0.000004151
     23        6           0.000001809   -0.000010908   -0.000016066
     24        6          -0.000033008    0.000011131   -0.000022676
     25        6           0.000011338    0.000004437   -0.000006961
     26        6          -0.000000413   -0.000003915   -0.000006198
     27        6          -0.000011149    0.000014106   -0.000018968
     28        6           0.000001798    0.000002796   -0.000000642
     29        6          -0.000012664   -0.000006640   -0.000005296
     30        6          -0.000004094   -0.000001623    0.000006760
     31        6           0.000012927   -0.000006182   -0.000005402
     32        6           0.000013164   -0.000016005   -0.000025013
     33        6           0.000001349   -0.000000669    0.000001219
     34        6           0.000002443    0.000001326   -0.000001035
     35        6          -0.000003106    0.000000945   -0.000000651
     36        6           0.000003121   -0.000003960    0.000002251
     37        6          -0.000000809    0.000003180   -0.000002696
     38        6          -0.000003222    0.000003203   -0.000000832
     39        6          -0.000005255   -0.000008071    0.000007072
     40        6          -0.000022629   -0.000005153   -0.000006181
     41        6           0.000015446    0.000014216   -0.000012403
     42        6           0.000013973   -0.000002909    0.000010835
     43        6          -0.000003102    0.000007060   -0.000011753
     44        6           0.000012912   -0.000004114   -0.000004901
     45        6          -0.000007949   -0.000002586    0.000003677
     46        6          -0.000002999   -0.000006921    0.000013413
     47        1          -0.000010642   -0.000002918   -0.000003275
     48        1           0.000006257    0.000002416   -0.000002710
     49        1          -0.000002163   -0.000015358    0.000000485
     50        1           0.000002392   -0.000000873    0.000000191
     51        1           0.000008206   -0.000011739    0.000005828
     52        1           0.000005662    0.000001763   -0.000005681
     53        1          -0.000005285    0.000009317    0.000001113
     54        1          -0.000026464   -0.000005191    0.000019286
     55        1           0.000003006    0.000003416   -0.000006495
     56        1          -0.000007825   -0.000008129   -0.000003866
     57        1           0.000002937    0.000010581   -0.000002950
     58        1          -0.000004615    0.000006384   -0.000000473
     59        1          -0.000003532   -0.000001086   -0.000005011
     60        1          -0.000011319   -0.000001185   -0.000006746
     61        1          -0.000010018    0.000000845    0.000006052
     62        1          -0.000001304    0.000007672   -0.000005326
     63        1          -0.000000976    0.000000816   -0.000001980
     64        1          -0.000001772    0.000000069    0.000001969
     65        1           0.000000450   -0.000001189   -0.000000908
     66        1          -0.000001323   -0.000002774   -0.000002382
     67        1          -0.000000100   -0.000006576   -0.000007534
     68        1          -0.000002090   -0.000002618    0.000000956
     69        1           0.000000324   -0.000004132   -0.000001211
     70        1           0.000003336    0.000000428    0.000003362
     71        1          -0.000003063    0.000010180   -0.000003178
     72        1          -0.000018902   -0.000006205    0.000027747
     73        1           0.000006077    0.000002880    0.000003370
     74        1          -0.000003362   -0.000000549   -0.000002358
     75        1           0.000003616    0.000009065   -0.000004211
     76        1          -0.000001187   -0.000000517    0.000000673
     77        1          -0.000000874    0.000001671    0.000001091
     78        1           0.000006330   -0.000010114   -0.000009320
     79        1           0.000000649   -0.000003669    0.000008906
     80        1          -0.000000760   -0.000002080   -0.000001629
     81        1           0.000000205    0.000002362    0.000003016
     82        1           0.000001160    0.000001174    0.000000476
     83        1           0.000000693   -0.000000340   -0.000001039
     84        1          -0.000000711   -0.000001243    0.000001326
     85        1           0.000000314   -0.000000162   -0.000000730
     86        1          -0.000002232   -0.000001014    0.000002341
     87        1           0.000006132    0.000000220    0.000000588
     88        1          -0.000000919   -0.000005343    0.000001334
     89        1          -0.000004212    0.000005302   -0.000004962
     90        1           0.000001865    0.000003832   -0.000003772
     91        1           0.000000667   -0.000000725   -0.000000765
     92        1          -0.000003126   -0.000000087    0.000000833
     93        1          -0.000007731   -0.000003401    0.000001855
     94        1           0.000005733    0.000000008    0.000000871
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000080140 RMS     0.000012568

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000118937 RMS     0.000012817
 Search for a local minimum.
 Step number  39 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
 DE= -6.15D-07 DEPred=-4.25D-07 R= 1.45D+00
 Trust test= 1.45D+00 RLast= 1.18D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00107   0.00183   0.00197   0.00229   0.00237
     Eigenvalues ---    0.00243   0.00273   0.00304   0.00330   0.00400
     Eigenvalues ---    0.00458   0.00487   0.00509   0.00544   0.00564
     Eigenvalues ---    0.00617   0.00653   0.00773   0.00800   0.00988
     Eigenvalues ---    0.01248   0.01346   0.01401   0.01434   0.01452
     Eigenvalues ---    0.01493   0.01518   0.01610   0.01714   0.01871
     Eigenvalues ---    0.02000   0.02055   0.02088   0.02115   0.02124
     Eigenvalues ---    0.02146   0.02151   0.02156   0.02156   0.02160
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02179   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02188   0.02192   0.02280   0.02317   0.02465
     Eigenvalues ---    0.03065   0.03124   0.03382   0.03483   0.03744
     Eigenvalues ---    0.03816   0.03984   0.04035   0.04249   0.04307
     Eigenvalues ---    0.04385   0.04431   0.04609   0.04682   0.04773
     Eigenvalues ---    0.04875   0.05019   0.05042   0.05080   0.05259
     Eigenvalues ---    0.05335   0.05401   0.05438   0.05506   0.05560
     Eigenvalues ---    0.05600   0.05636   0.05654   0.05700   0.05918
     Eigenvalues ---    0.06059   0.06451   0.06845   0.07016   0.07118
     Eigenvalues ---    0.07179   0.07266   0.07377   0.07524   0.07543
     Eigenvalues ---    0.07922   0.08091   0.08342   0.08765   0.09226
     Eigenvalues ---    0.09397   0.09519   0.09757   0.11037   0.11600
     Eigenvalues ---    0.12148   0.12591   0.12876   0.12968   0.14079
     Eigenvalues ---    0.14446   0.15357   0.15792   0.15892   0.15946
     Eigenvalues ---    0.15977   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16004   0.16006
     Eigenvalues ---    0.16007   0.16008   0.16013   0.16020   0.16022
     Eigenvalues ---    0.16067   0.16195   0.16231   0.16672   0.16787
     Eigenvalues ---    0.17492   0.17778   0.19156   0.19268   0.19732
     Eigenvalues ---    0.20236   0.20572   0.21089   0.21387   0.21948
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22033   0.22080
     Eigenvalues ---    0.22340   0.22673   0.23156   0.23379   0.23415
     Eigenvalues ---    0.23476   0.23548   0.23742   0.24002   0.24683
     Eigenvalues ---    0.24705   0.24881   0.24967   0.25033   0.25109
     Eigenvalues ---    0.25316   0.25916   0.26166   0.26705   0.27174
     Eigenvalues ---    0.27732   0.28034   0.28178   0.28407   0.28743
     Eigenvalues ---    0.29167   0.29386   0.29879   0.30039   0.30354
     Eigenvalues ---    0.30828   0.31187   0.31720   0.32253   0.32900
     Eigenvalues ---    0.33399   0.34112   0.34422   0.34442   0.34529
     Eigenvalues ---    0.34591   0.34624   0.34637   0.34663   0.34690
     Eigenvalues ---    0.34707   0.34714   0.34729   0.34733   0.34744
     Eigenvalues ---    0.34748   0.34759   0.34773   0.34777   0.34791
     Eigenvalues ---    0.34802   0.34817   0.34818   0.34823   0.34838
     Eigenvalues ---    0.34848   0.34876   0.34903   0.34956   0.35056
     Eigenvalues ---    0.35452   0.35627   0.35849   0.35886   0.35911
     Eigenvalues ---    0.35933   0.35956   0.35971   0.35981   0.35994
     Eigenvalues ---    0.36005   0.36024   0.36033   0.36040   0.36054
     Eigenvalues ---    0.36096   0.37545   0.38742   0.39358   0.40604
     Eigenvalues ---    0.41073   0.42242   0.42299   0.42368   0.43145
     Eigenvalues ---    0.43459   0.44169   0.45251   0.45569   0.45926
     Eigenvalues ---    0.45991   0.46137   0.46253   0.46338   0.46492
     Eigenvalues ---    0.46594   0.46690   0.46766   0.46772   0.46931
     Eigenvalues ---    0.47220   0.47881   0.48487   0.50781   0.51602
     Eigenvalues ---    0.53266   0.55049   0.57940   0.58755   0.60871
     Eigenvalues ---    0.64757   0.76397   0.89827   0.91076   0.92811
     Eigenvalues ---    0.948721000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    39   38   37   36   35
 RFO step:  Lambda=-1.65612405D-07.
 DIIS coeffs:      1.56554     -0.36062     -0.12600     -0.13792      0.05901
 Iteration  1 RMS(Cart)=  0.00580091 RMS(Int)=  0.00000531
 Iteration  2 RMS(Cart)=  0.00002106 RMS(Int)=  0.00000004
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000004
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68035  -0.00002   0.00005   0.00002   0.00008   2.68043
    R2        1.82995   0.00000   0.00007   0.00002   0.00009   1.83004
    R3        2.36388   0.00000   0.00000   0.00001   0.00001   2.36389
    R4        2.38338   0.00001  -0.00004   0.00001  -0.00002   2.38336
    R5        2.35990  -0.00001  -0.00004  -0.00005  -0.00009   2.35981
    R6        2.70539   0.00002   0.00001   0.00007   0.00008   2.70547
    R7        2.63199   0.00000  -0.00002  -0.00002  -0.00004   2.63194
    R8        2.74062  -0.00012   0.00001  -0.00006  -0.00004   2.74058
    R9        2.73796  -0.00004  -0.00003   0.00003   0.00000   2.73796
   R10        2.66818  -0.00008  -0.00013  -0.00010  -0.00023   2.66794
   R11        2.72928   0.00005  -0.00001   0.00014   0.00013   2.72941
   R12        2.58723   0.00000  -0.00001   0.00004   0.00003   2.58727
   R13        1.89045  -0.00002  -0.00007  -0.00004  -0.00012   1.89033
   R14        2.73104  -0.00001   0.00007  -0.00011  -0.00004   2.73100
   R15        2.59810   0.00001   0.00002   0.00002   0.00004   2.59814
   R16        1.88301   0.00000   0.00001  -0.00001   0.00000   1.88301
   R17        2.64005  -0.00003   0.00002   0.00002   0.00004   2.64009
   R18        2.71759  -0.00004  -0.00006  -0.00002  -0.00008   2.71751
   R19        1.87842  -0.00003  -0.00002  -0.00005  -0.00006   1.87836
   R20        2.90684   0.00005  -0.00002   0.00012   0.00010   2.90694
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   R38        2.12165   0.00001   0.00003   0.00005   0.00008   2.12173
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   R84        2.79771  -0.00001   0.00002  -0.00005  -0.00003   2.79767
   R85        2.64426   0.00000   0.00000   0.00005   0.00005   2.64431
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   A10        2.02519   0.00001  -0.00007  -0.00004  -0.00011   2.02508
   A11        2.06280   0.00001  -0.00006   0.00006   0.00000   2.06280
   A12        2.10788   0.00000   0.00009   0.00002   0.00011   2.10799
   A13        2.01413  -0.00001   0.00020  -0.00014   0.00005   2.01418
   A14        2.06628   0.00001   0.00029   0.00003   0.00032   2.06660
   A15        2.00621  -0.00001  -0.00001   0.00009   0.00008   2.00629
   A16        1.94491   0.00002   0.00005   0.00007   0.00012   1.94502
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   A21        1.99286   0.00001  -0.00001  -0.00002  -0.00003   1.99283
   A22        1.92577  -0.00005  -0.00001   0.00009   0.00009   1.92585
   A23        1.86886   0.00001  -0.00006  -0.00004  -0.00010   1.86876
   A24        1.90763   0.00003   0.00004  -0.00002   0.00002   1.90765
   A25        1.86689   0.00000   0.00001   0.00000   0.00001   1.86690
   A26        1.89863   0.00001   0.00002  -0.00001   0.00001   1.89864
   A27        2.00032   0.00002   0.00007   0.00008   0.00016   2.00048
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   A29        1.87800  -0.00001   0.00001  -0.00004  -0.00003   1.87798
   A30        1.90707  -0.00001  -0.00010  -0.00004  -0.00014   1.90693
   A31        1.90762  -0.00001   0.00005   0.00001   0.00006   1.90768
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   A33        1.97270   0.00004  -0.00025   0.00005  -0.00019   1.97251
   A34        1.91202  -0.00003   0.00020  -0.00022  -0.00003   1.91200
   A35        1.81883  -0.00001  -0.00007   0.00011   0.00004   1.81887
   A36        1.93729  -0.00002   0.00011   0.00001   0.00012   1.93741
   A37        1.92119   0.00000   0.00000   0.00008   0.00008   1.92127
   A38        1.89713   0.00001   0.00000  -0.00003  -0.00003   1.89711
   A39        1.90533   0.00000   0.00005  -0.00001   0.00004   1.90537
   A40        1.94280  -0.00001   0.00002  -0.00004  -0.00002   1.94278
   A41        1.89458   0.00000   0.00001   0.00002   0.00002   1.89460
   A42        1.91279   0.00001  -0.00004   0.00001  -0.00003   1.91276
   A43        1.89522   0.00000  -0.00002   0.00004   0.00002   1.89525
   A44        1.91241   0.00000  -0.00002  -0.00001  -0.00003   1.91238
   A45        1.94163  -0.00001  -0.00006  -0.00009  -0.00016   1.94147
   A46        1.95059   0.00002  -0.00006   0.00010   0.00004   1.95063
   A47        1.88292   0.00000   0.00007   0.00002   0.00009   1.88302
   A48        1.91101  -0.00001   0.00011  -0.00006   0.00005   1.91106
   A49        1.88195   0.00000   0.00000  -0.00002  -0.00002   1.88193
   A50        1.89365   0.00000  -0.00007   0.00005  -0.00001   1.89364
   A51        1.95984   0.00003   0.00013   0.00017   0.00030   1.96014
   A52        1.91897   0.00000  -0.00004   0.00000  -0.00004   1.91893
   A53        1.87731  -0.00001  -0.00007  -0.00010  -0.00017   1.87714
   A54        1.91757  -0.00001  -0.00002  -0.00001  -0.00003   1.91755
   A55        1.91287  -0.00001  -0.00003  -0.00010  -0.00012   1.91274
   A56        1.87496   0.00001   0.00003   0.00002   0.00005   1.87501
   A57        2.14981   0.00004   0.00002   0.00003   0.00005   2.14986
   A58        2.12112   0.00001  -0.00002  -0.00002  -0.00004   2.12108
   A59        2.01163  -0.00005   0.00000  -0.00002  -0.00002   2.01161
   A60        2.00108  -0.00002  -0.00002  -0.00012  -0.00013   2.00095
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   A70        1.92270   0.00001   0.00003  -0.00001   0.00002   1.92272
   A71        1.88410   0.00000  -0.00002  -0.00003  -0.00006   1.88404
   A72        1.96955  -0.00001  -0.00005  -0.00007  -0.00012   1.96943
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   A76        1.90453   0.00001   0.00007   0.00012   0.00019   1.90472
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   A78        2.11653  -0.00001   0.00009   0.00005   0.00013   2.11666
   A79        2.08078   0.00000  -0.00005  -0.00008  -0.00014   2.08065
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   A157       2.08404   0.00000  -0.00004  -0.00002  -0.00006   2.08398
   A158       2.09294   0.00000   0.00003   0.00002   0.00005   2.09299
   A159       1.93805   0.00000   0.00001   0.00004   0.00005   1.93809
   A160       1.92049   0.00000   0.00003   0.00002   0.00004   1.92054
   A161       1.92937  -0.00001   0.00000  -0.00004  -0.00004   1.92932
   A162       1.88820   0.00000  -0.00005  -0.00001  -0.00005   1.88814
   A163       1.89234   0.00000   0.00002   0.00003   0.00004   1.89238
   A164       1.89424   0.00000  -0.00001  -0.00003  -0.00004   1.89421
   A165       1.93751   0.00000   0.00000   0.00005   0.00005   1.93756
   A166       1.92633   0.00000   0.00001   0.00000   0.00001   1.92634
   A167       1.92520  -0.00001  -0.00005  -0.00009  -0.00014   1.92506
   A168       1.89370   0.00000   0.00001   0.00001   0.00002   1.89371
   A169       1.88914   0.00000   0.00003   0.00005   0.00008   1.88922
   A170       1.89076   0.00000   0.00000  -0.00001  -0.00001   1.89075
   A171       2.09864   0.00000   0.00002   0.00001   0.00002   2.09866
   A172       2.09214   0.00000  -0.00006  -0.00004  -0.00009   2.09205
   A173       2.09239   0.00000   0.00004   0.00003   0.00007   2.09246
    D1        0.60362  -0.00001   0.00257  -0.00168   0.00089   0.60452
    D2       -1.56656   0.00000   0.00245  -0.00156   0.00089  -1.56567
    D3        2.68927   0.00001   0.00240  -0.00148   0.00091   2.69019
    D4        2.39094   0.00001   0.00188   0.00276   0.00464   2.39559
    D5       -1.84037   0.00001   0.00192   0.00284   0.00476  -1.83560
    D6        0.27136   0.00001   0.00202   0.00298   0.00500   0.27636
    D7       -2.12648   0.00001   0.00068   0.00126   0.00194  -2.12454
    D8        1.11223   0.00001   0.00079   0.00098   0.00177   1.11400
    D9        0.92494   0.00000  -0.00025  -0.00016  -0.00040   0.92454
   D10       -1.23162  -0.00001  -0.00029  -0.00019  -0.00048  -1.23210
   D11        2.98794   0.00001  -0.00027  -0.00020  -0.00048   2.98746
   D12       -2.65242  -0.00001   0.00006  -0.00032  -0.00026  -2.65269
   D13        1.47420  -0.00001   0.00002  -0.00036  -0.00034   1.47386
   D14       -0.58943   0.00000   0.00003  -0.00037  -0.00034  -0.58976
   D15        2.59128  -0.00002   0.00024  -0.00134  -0.00110   2.59018
   D16       -1.57115  -0.00002   0.00028  -0.00146  -0.00118  -1.57233
   D17        0.46883  -0.00001   0.00026  -0.00136  -0.00110   0.46773
   D18       -0.10406  -0.00001  -0.00006  -0.00120  -0.00125  -0.10531
   D19        2.01670   0.00000  -0.00001  -0.00132  -0.00133   2.01537
   D20       -2.22651   0.00000  -0.00004  -0.00122  -0.00126  -2.22776
   D21        0.08376   0.00002  -0.00010   0.00074   0.00064   0.08440
   D22       -3.13661   0.00001  -0.00006   0.00025   0.00019  -3.13642
   D23        2.78102   0.00000   0.00018   0.00063   0.00081   2.78183
   D24       -0.43935  -0.00001   0.00022   0.00014   0.00036  -0.43899
   D25       -0.85581   0.00000   0.00054  -0.00057  -0.00003  -0.85584
   D26       -3.04210  -0.00001   0.00053  -0.00067  -0.00015  -3.04225
   D27        1.19430   0.00000   0.00042  -0.00063  -0.00021   1.19409
   D28        2.29670   0.00000  -0.00002   0.00080   0.00078   2.29748
   D29        0.11041  -0.00001  -0.00003   0.00070   0.00066   0.11108
   D30       -1.93637   0.00000  -0.00014   0.00074   0.00060  -1.93577
   D31        0.09089  -0.00002  -0.00069   0.00040  -0.00029   0.09060
   D32       -3.08813  -0.00004  -0.00036  -0.00010  -0.00045  -3.08859
   D33       -3.06178  -0.00002  -0.00013  -0.00099  -0.00111  -3.06290
   D34        0.04238  -0.00004   0.00021  -0.00149  -0.00128   0.04110
   D35       -1.77414   0.00000  -0.00116  -0.00145  -0.00261  -1.77675
   D36        2.36698   0.00000  -0.00122  -0.00138  -0.00259   2.36438
   D37        0.28665  -0.00001  -0.00115  -0.00151  -0.00266   0.28399
   D38        1.00237  -0.00001  -0.00122  -0.00146  -0.00268   0.99970
   D39       -1.13969   0.00000  -0.00128  -0.00138  -0.00266  -1.14235
   D40        3.06317  -0.00001  -0.00121  -0.00152  -0.00273   3.06044
   D41       -0.15499   0.00000   0.00065   0.00081   0.00146  -0.15353
   D42        3.05111   0.00000   0.00058   0.00106   0.00164   3.05275
   D43       -2.92406   0.00000   0.00072   0.00083   0.00155  -2.92251
   D44        0.28204   0.00001   0.00065   0.00108   0.00173   0.28377
   D45       -2.90599   0.00001  -0.00017   0.00078   0.00061  -2.90538
   D46        0.31275   0.00002  -0.00022   0.00125   0.00104   0.31379
   D47       -0.22597   0.00000   0.00122   0.00056   0.00178  -0.22419
   D48        2.99277   0.00001   0.00117   0.00103   0.00221   2.99498
   D49        0.33971  -0.00001   0.00005  -0.00135  -0.00130   0.33841
   D50        2.47299  -0.00001   0.00001  -0.00136  -0.00135   2.47164
   D51       -1.76769  -0.00001  -0.00004  -0.00139  -0.00142  -1.76911
   D52       -2.32693   0.00000  -0.00135  -0.00108  -0.00243  -2.32936
   D53       -0.19365   0.00000  -0.00140  -0.00108  -0.00248  -0.19613
   D54        1.84886   0.00000  -0.00144  -0.00112  -0.00256   1.84630
   D55       -0.90122  -0.00001   0.00030   0.00065   0.00095  -0.90027
   D56        1.22798   0.00000   0.00015   0.00068   0.00083   1.22881
   D57       -3.02670   0.00000   0.00017   0.00062   0.00079  -3.02591
   D58        1.30291   0.00001   0.00034   0.00079   0.00114   1.30405
   D59       -2.85108   0.00001   0.00019   0.00083   0.00102  -2.85006
   D60       -0.82257   0.00001   0.00022   0.00076   0.00098  -0.82159
   D61       -2.96573   0.00000   0.00039   0.00064   0.00103  -2.96470
   D62       -0.83653   0.00000   0.00024   0.00067   0.00091  -0.83562
   D63        1.19198   0.00000   0.00026   0.00060   0.00087   1.19284
   D64       -1.07736  -0.00001   0.00069  -0.00031   0.00038  -1.07698
   D65        1.06334   0.00000   0.00073  -0.00020   0.00053   1.06387
   D66        3.09985   0.00000   0.00070  -0.00023   0.00047   3.10031
   D67        2.96718  -0.00001   0.00068  -0.00046   0.00022   2.96740
   D68       -1.17530   0.00000   0.00071  -0.00035   0.00036  -1.17494
   D69        0.86120   0.00000   0.00068  -0.00038   0.00030   0.86151
   D70        0.96922   0.00000   0.00073  -0.00029   0.00044   0.96966
   D71        3.10993   0.00000   0.00076  -0.00018   0.00058   3.11051
   D72       -1.13675   0.00000   0.00073  -0.00021   0.00053  -1.13623
   D73        3.04855   0.00002  -0.00002  -0.00033  -0.00035   3.04820
   D74        0.93470   0.00001  -0.00002  -0.00031  -0.00033   0.93438
   D75       -1.17158   0.00002  -0.00001  -0.00028  -0.00029  -1.17187
   D76       -1.06833  -0.00002   0.00000  -0.00024  -0.00024  -1.06857
   D77        3.10101  -0.00003   0.00000  -0.00022  -0.00022   3.10079
   D78        0.99473  -0.00002   0.00001  -0.00019  -0.00018   0.99455
   D79        0.98443   0.00000   0.00005  -0.00027  -0.00022   0.98421
   D80       -1.12942   0.00000   0.00005  -0.00024  -0.00019  -1.12961
   D81        3.04749   0.00000   0.00006  -0.00021  -0.00016   3.04733
   D82        1.70996   0.00000   0.00062   0.00030   0.00092   1.71088
   D83       -1.39488   0.00002   0.00029   0.00079   0.00108  -1.39380
   D84       -0.49524   0.00000   0.00061   0.00027   0.00088  -0.49436
   D85        2.68311   0.00002   0.00028   0.00076   0.00104   2.68415
   D86       -2.52794  -0.00002   0.00056   0.00029   0.00085  -2.52709
   D87        0.65041   0.00000   0.00023   0.00078   0.00101   0.65142
   D88        1.40478   0.00002  -0.00061   0.00063   0.00002   1.40480
   D89       -2.72209   0.00000  -0.00045   0.00038  -0.00007  -2.72216
   D90       -0.62089   0.00000  -0.00037   0.00040   0.00003  -0.62086
   D91       -0.71179   0.00001  -0.00045   0.00054   0.00009  -0.71170
   D92        1.44453  -0.00001  -0.00029   0.00029   0.00000   1.44453
   D93       -2.73746  -0.00001  -0.00022   0.00032   0.00010  -2.73736
   D94       -2.76916   0.00002  -0.00050   0.00063   0.00013  -2.76903
   D95       -0.61285   0.00000  -0.00034   0.00039   0.00005  -0.61280
   D96        1.48835   0.00000  -0.00026   0.00041   0.00015   1.48849
   D97       -1.07192   0.00001   0.00092  -0.00023   0.00069  -1.07123
   D98        1.09276   0.00002   0.00089  -0.00022   0.00067   1.09343
   D99       -3.13330   0.00001   0.00087  -0.00019   0.00068  -3.13263
   D100       3.02058  -0.00001   0.00102  -0.00015   0.00087   3.02146
   D101      -1.09792   0.00000   0.00098  -0.00013   0.00085  -1.09707
   D102       0.95920  -0.00001   0.00096  -0.00011   0.00086   0.96006
   D103       0.90518  -0.00001   0.00095  -0.00024   0.00071   0.90590
   D104       3.06986   0.00000   0.00091  -0.00022   0.00069   3.07056
   D105      -1.15620  -0.00001   0.00090  -0.00020   0.00070  -1.15550
   D106      -1.06326   0.00000  -0.00021  -0.00014  -0.00036  -1.06361
   D107       3.13145   0.00000  -0.00020  -0.00017  -0.00037   3.13108
   D108       1.04619   0.00000  -0.00020  -0.00016  -0.00036   1.04583
   D109       1.06876   0.00000  -0.00018  -0.00020  -0.00037   1.06839
   D110      -1.01973   0.00000  -0.00017  -0.00022  -0.00039  -1.02011
   D111      -3.10498   0.00000  -0.00016  -0.00021  -0.00037  -3.10536
   D112      -3.12591   0.00000  -0.00024  -0.00018  -0.00042  -3.12633
   D113       1.06879   0.00000  -0.00023  -0.00020  -0.00043   1.06836
   D114      -1.01647   0.00000  -0.00022  -0.00019  -0.00042  -1.01689
   D115       0.90891   0.00000  -0.00026  -0.00033  -0.00059   0.90832
   D116      -1.19614   0.00000  -0.00028  -0.00030  -0.00059  -1.19672
   D117       2.99721   0.00000  -0.00029  -0.00031  -0.00061   2.99660
   D118      -1.20056   0.00000  -0.00032  -0.00029  -0.00061  -1.20117
   D119       2.97758   0.00000  -0.00033  -0.00027  -0.00060   2.97697
   D120       0.88773   0.00000  -0.00035  -0.00028  -0.00062   0.88711
   D121       3.00468  -0.00001  -0.00026  -0.00034  -0.00060   3.00408
   D122       0.89963   0.00000  -0.00028  -0.00032  -0.00060   0.89904
   D123      -1.19021   0.00000  -0.00029  -0.00033  -0.00061  -1.19082
   D124      -1.03615   0.00000  -0.00002   0.00037   0.00035  -1.03580
   D125       1.11226   0.00000  -0.00013   0.00035   0.00022   1.11247
   D126      -3.13801   0.00000  -0.00010   0.00028   0.00018  -3.13783
   D127       3.08761   0.00000   0.00002   0.00046   0.00048   3.08809
   D128      -1.04716   0.00000  -0.00009   0.00044   0.00035  -1.04681
   D129       0.98575   0.00000  -0.00006   0.00037   0.00032   0.98607
   D130       1.03782   0.00000  -0.00001   0.00049   0.00048   1.03830
   D131      -3.09696   0.00001  -0.00012   0.00047   0.00035  -3.09661
   D132      -1.06405   0.00000  -0.00008   0.00040   0.00032  -1.06373
   D133      -1.55191   0.00001   0.00011  -0.00030  -0.00019  -1.55210
   D134       1.60148   0.00001   0.00010  -0.00027  -0.00017   1.60131
   D135       2.58978  -0.00001   0.00009  -0.00042  -0.00032   2.58946
   D136      -0.54001  -0.00001   0.00008  -0.00039  -0.00031  -0.54032
   D137       0.53342   0.00000   0.00009  -0.00038  -0.00029   0.53312
   D138      -2.59638   0.00000   0.00008  -0.00035  -0.00028  -2.59666
   D139       0.72054   0.00001  -0.00006   0.00100   0.00093   0.72147
   D140       2.81931   0.00001  -0.00002   0.00103   0.00101   2.82032
   D141      -1.40762   0.00001  -0.00007   0.00104   0.00097  -1.40666
   D142      -1.38173   0.00001  -0.00009   0.00108   0.00099  -1.38073
   D143       0.71704   0.00000  -0.00004   0.00112   0.00107   0.71811
   D144       2.77329   0.00000  -0.00010   0.00113   0.00103   2.77432
   D145       2.84932   0.00000  -0.00012   0.00100   0.00088   2.85020
   D146      -1.33510   0.00000  -0.00008   0.00104   0.00096  -1.33414
   D147       0.72116   0.00000  -0.00013   0.00105   0.00091   0.72207
   D148      -0.83507   0.00000   0.00009   0.00026   0.00035  -0.83471
   D149      -2.96868   0.00000   0.00016   0.00022   0.00038  -2.96830
   D150       1.26186   0.00000   0.00019   0.00031   0.00050   1.26236
   D151      -2.93064   0.00000   0.00004   0.00022   0.00025  -2.93038
   D152       1.21893   0.00000   0.00011   0.00018   0.00029   1.21922
   D153      -0.83371   0.00000   0.00014   0.00026   0.00040  -0.83331
   D154       1.28656  -0.00001   0.00004   0.00024   0.00028   1.28684
   D155      -0.84705   0.00000   0.00011   0.00020   0.00031  -0.84674
   D156      -2.89970   0.00000   0.00014   0.00028   0.00043  -2.89927
   D157      -1.26023   0.00000  -0.00194  -0.00379  -0.00574  -1.26597
   D158       1.89600   0.00000  -0.00203  -0.00389  -0.00592   1.89007
   D159       2.88325  -0.00001  -0.00194  -0.00378  -0.00572   2.87753
   D160      -0.24370  -0.00001  -0.00202  -0.00388  -0.00591  -0.24961
   D161       0.82625  -0.00001  -0.00190  -0.00379  -0.00569   0.82056
   D162      -2.30071  -0.00001  -0.00199  -0.00389  -0.00587  -2.30659
   D163      -3.12971   0.00000  -0.00004  -0.00001  -0.00005  -3.12976
   D164       0.01044   0.00000  -0.00001  -0.00003  -0.00005   0.01040
   D165       0.00025   0.00000  -0.00003  -0.00004  -0.00007   0.00018
   D166       3.14040   0.00000   0.00000  -0.00006  -0.00006   3.14034
   D167       3.13045   0.00000   0.00004   0.00004   0.00008   3.13053
   D168      -0.01694   0.00000   0.00013   0.00006   0.00019  -0.01675
   D169       0.00057   0.00000   0.00003   0.00007   0.00010   0.00067
   D170       3.13637   0.00000   0.00012   0.00009   0.00020   3.13658
   D171      -3.12589   0.00000  -0.00007  -0.00011  -0.00018  -3.12607
   D172       0.02225   0.00000  -0.00009  -0.00012  -0.00022   0.02203
   D173       0.00125   0.00000   0.00001  -0.00001   0.00000   0.00125
   D174      -3.13380   0.00000  -0.00001  -0.00002  -0.00003  -3.13383
   D175       3.12436   0.00000   0.00006   0.00008   0.00014   3.12450
   D176      -0.02047   0.00000  -0.00001   0.00006   0.00005  -0.02042
   D177      -0.00274   0.00000  -0.00003  -0.00002  -0.00005  -0.00278
   D178       3.13562   0.00000  -0.00009  -0.00004  -0.00014   3.13548
   D179       2.70122   0.00000  -0.00146  -0.00354  -0.00500   2.69622
   D180       0.65734   0.00000  -0.00157  -0.00374  -0.00531   0.65204
   D181      -1.42561  -0.00001  -0.00171  -0.00387  -0.00558  -1.43119
   D182      -0.50214   0.00000  -0.00140  -0.00378  -0.00518  -0.50732
   D183      -2.54602  -0.00001  -0.00150  -0.00398  -0.00548  -2.55150
   D184       1.65421  -0.00001  -0.00164  -0.00412  -0.00576   1.64845
   D185      -0.00027   0.00000   0.00001  -0.00001   0.00000  -0.00027
   D186       3.14066   0.00000   0.00006   0.00001   0.00007   3.14072
   D187      -3.14042   0.00000  -0.00001   0.00001   0.00000  -3.14042
   D188       0.00051   0.00000   0.00003   0.00003   0.00006   0.00057
   D189      -0.00137   0.00000  -0.00002  -0.00005  -0.00007  -0.00144
   D190       3.13805   0.00000   0.00000  -0.00008  -0.00008   3.13797
   D191      -3.13722   0.00000  -0.00010  -0.00007  -0.00018  -3.13740
   D192       0.00220   0.00000  -0.00009  -0.00010  -0.00019   0.00201
   D193       0.00125   0.00000   0.00001   0.00002   0.00003   0.00128
   D194      -3.13826   0.00000   0.00001   0.00003   0.00004  -3.13822
   D195       3.13628   0.00000   0.00003   0.00004   0.00007   3.13634
   D196      -0.00323   0.00000   0.00003   0.00004   0.00007  -0.00315
   D197       0.00173   0.00000   0.00003   0.00003   0.00006   0.00179
   D198      -3.14054   0.00000   0.00003   0.00007   0.00011  -3.14043
   D199      -3.13662   0.00000   0.00009   0.00005   0.00015  -3.13647
   D200       0.00430   0.00000   0.00010   0.00010   0.00019   0.00449
   D201      -0.00052   0.00000   0.00000   0.00003   0.00003  -0.00049
   D202       3.14104   0.00000   0.00002   0.00004   0.00005   3.14109
   D203      -3.14145   0.00000  -0.00005   0.00001  -0.00004  -3.14149
   D204       0.00011   0.00000  -0.00002   0.00002  -0.00001   0.00010
   D205       0.00134   0.00000   0.00000   0.00000   0.00001   0.00135
   D206      -3.14022   0.00000  -0.00002   0.00000  -0.00002  -3.14024
   D207      -3.13807   0.00000  -0.00001   0.00003   0.00002  -3.13805
   D208       0.00356   0.00000  -0.00003   0.00002  -0.00001   0.00355
   D209      -0.00227   0.00000  -0.00001  -0.00001  -0.00002  -0.00229
   D210       3.14048   0.00000  -0.00001  -0.00001  -0.00002   3.14046
   D211       3.13723   0.00000  -0.00001  -0.00002  -0.00003   3.13720
   D212      -0.00320   0.00000  -0.00001  -0.00002  -0.00003  -0.00323
   D213       0.00079   0.00000  -0.00001  -0.00002  -0.00002   0.00076
   D214       3.14122   0.00000  -0.00001  -0.00001  -0.00002   3.14119
   D215      -3.14013   0.00000  -0.00001  -0.00006  -0.00007  -3.14020
   D216       0.00030   0.00000  -0.00002  -0.00005  -0.00007   0.00023
   D217      -3.06025   0.00000   0.00018  -0.00010   0.00008  -3.06017
   D218       0.07393   0.00000   0.00026  -0.00007   0.00019   0.07413
   D219      -0.01601   0.00000   0.00007   0.00018   0.00024  -0.01576
   D220       3.11818   0.00000   0.00015   0.00020   0.00036   3.11854
   D221       3.06417   0.00000  -0.00019   0.00008  -0.00011   3.06405
   D222      -0.06773   0.00000  -0.00016  -0.00019  -0.00035  -0.06807
   D223       0.02364   0.00000  -0.00007  -0.00021  -0.00029   0.02336
   D224      -3.10825  -0.00001  -0.00004  -0.00048  -0.00052  -3.10877
   D225      -0.00274   0.00000  -0.00002  -0.00002  -0.00004  -0.00278
   D226       3.14043   0.00000   0.00008  -0.00003   0.00006   3.14049
   D227      -3.13700   0.00000  -0.00011  -0.00004  -0.00015  -3.13715
   D228       0.00618   0.00000   0.00000  -0.00005  -0.00005   0.00612
   D229      -2.84793   0.00000  -0.00099  -0.00136  -0.00235  -2.85028
   D230       1.34520  -0.00001  -0.00095  -0.00139  -0.00234   1.34286
   D231      -0.74684   0.00000  -0.00096  -0.00133  -0.00229  -0.74914
   D232       0.28612   0.00000  -0.00090  -0.00134  -0.00223   0.28389
   D233      -1.80393  -0.00001  -0.00086  -0.00136  -0.00222  -1.80615
   D234       2.38721   0.00000  -0.00087  -0.00130  -0.00218   2.38503
   D235      -0.01273   0.00000   0.00003   0.00009   0.00012  -0.01261
   D236       3.13601   0.00000   0.00008   0.00004   0.00012   3.13613
   D237       3.11931   0.00001   0.00000   0.00035   0.00035   3.11966
   D238      -0.01513   0.00000   0.00005   0.00030   0.00035  -0.01478
   D239       2.82056   0.00000   0.00014   0.00064   0.00078   2.82134
   D240       0.72014   0.00000   0.00013   0.00060   0.00073   0.72086
   D241      -1.36866   0.00001   0.00014   0.00067   0.00082  -1.36784
   D242      -0.31119   0.00000   0.00017   0.00037   0.00055  -0.31065
   D243      -2.41162   0.00000   0.00016   0.00033   0.00049  -2.41113
   D244       1.78277   0.00000   0.00017   0.00041   0.00058   1.78335
   D245       0.01343   0.00000  -0.00002  -0.00010  -0.00012   0.01331
   D246      -3.13339   0.00000   0.00004  -0.00002   0.00002  -3.13337
   D247      -3.12975   0.00000  -0.00013  -0.00009  -0.00022  -3.12997
   D248       0.00661   0.00000  -0.00007  -0.00001  -0.00008   0.00653
   D249      -0.00550   0.00000   0.00002   0.00006   0.00008  -0.00542
   D250       3.14132   0.00000  -0.00004  -0.00002  -0.00006   3.14126
   D251       3.12890   0.00000  -0.00003   0.00012   0.00008   3.12898
   D252      -0.00746   0.00000  -0.00009   0.00003  -0.00006  -0.00752
         Item               Value     Threshold  Converged?
 Maximum Force            0.000119     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.034519     0.001800     NO 
 RMS     Displacement     0.005791     0.001200     NO 
 Predicted change in Energy=-6.211245D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.252332   -0.001599   -0.925160
      2          8           0       -2.637229    0.220351   -2.479743
      3          8           0       -3.522566   -2.166454    1.272701
      4          8           0        2.347595    2.306340    2.264910
      5          8           0        3.454891   -0.993237    1.585869
      6          7           0       -2.727112   -2.636442   -0.867182
      7          7           0       -3.209513    0.394017   -0.253512
      8          7           0        2.128972    1.093556    0.320091
      9          7           0       -1.751927   -3.617380    1.124260
     10          6           0       -2.809396    1.766240   -0.046078
     11          6           0       -3.705534   -1.725678   -1.429699
     12          6           0       -1.422606    2.129262   -0.604063
     13          6           0       -0.301081    1.197878   -0.169651
     14          6           0       -4.182090   -2.106571   -2.847802
     15          6           0        1.081839    1.916422   -0.241119
     16          6           0       -2.881411    2.155692    1.446133
     17          6           0       -3.144839   -0.272076   -1.447929
     18          6           0       -1.543675   -2.927365   -1.650798
     19          6           0       -0.288919   -3.208741   -0.828318
     20          6           0        1.383091    2.307689   -1.700224
     21          6           0       -2.683229   -2.756095    0.538869
     22          6           0       -5.291772   -1.162499   -3.270773
     23          6           0       -4.684661   -3.534351   -2.894619
     24          6           0       -0.609527   -4.079519    0.383103
     25          6           0       -4.262365    2.054231    1.990244
     26          6           0        2.654708    3.064233   -1.844006
     27          6           0        2.636636    1.302563    1.580596
     28          6           0       -5.126903    3.153228    1.914882
     29          6           0       -4.707663    0.871331    2.593274
     30          6           0        2.738928    4.391939   -1.406337
     31          6           0        3.774455    2.465614   -2.432620
     32          6           0        3.659097    0.312085    2.137335
     33          6           0       -6.417209    3.071181    2.434707
     34          6           0       -5.999847    0.792482    3.111476
     35          6           0       -6.855845    1.890637    3.034226
     36          6           0        3.924325    5.108496   -1.557082
     37          6           0        4.959043    3.185069   -2.584126
     38          6           0        5.036097    4.507007   -2.147418
     39          6           0        4.625679   -1.651168    1.216853
     40          6           0        4.745001   -2.051532   -0.128113
     41          6           0        5.593207   -2.005740    2.174473
     42          6           0        5.864315   -2.800479   -0.504919
     43          6           0        6.704248   -2.747955    1.758827
     44          6           0        3.710269   -1.701141   -1.127279
     45          6           0        5.449936   -1.621404    3.597192
     46          6           0        6.840195   -3.139269    0.429489
     47          1           0       -3.549995    2.422727   -0.603702
     48          1           0       -4.617341   -1.757317   -0.754182
     49          1           0       -1.490264    2.130075   -1.726969
     50          1           0       -1.186393    3.173891   -0.272052
     51          1           0       -0.474227    0.850808    0.890666
     52          1           0       -3.318205   -1.987197   -3.560215
     53          1           0        1.013463    2.861868    0.377394
     54          1           0       -3.568970   -0.094083    0.542222
     55          1           0       -2.186865    1.508065    2.044924
     56          1           0       -2.517414    3.213858    1.537847
     57          1           0       -1.777777   -3.826695   -2.291328
     58          1           0       -1.331463   -2.052778   -2.335785
     59          1           0        0.456040   -3.737949   -1.474420
     60          1           0        0.168369   -2.237405   -0.496956
     61          1           0        1.407345    1.382592   -2.336267
     62          1           0        0.532237    2.945224   -2.063343
     63          1           0       -6.163465   -1.239843   -2.577266
     64          1           0       -5.635502   -1.423905   -4.300709
     65          1           0       -4.927549   -0.106404   -3.278339
     66          1           0       -5.444748   -3.709663   -2.095450
     67          1           0       -3.850864   -4.262735   -2.754431
     68          1           0       -5.160168   -3.735388   -3.885650
     69          1           0        0.287742   -4.118671    1.063557
     70          1           0       -0.823082   -5.132137    0.033864
     71          1           0        2.245256    0.193288   -0.090887
     72          1           0       -1.682009   -3.560655    2.114159
     73          1           0       -0.514776    0.203090   -1.834585
     74          1           0       -4.783853    4.086291    1.443682
     75          1           0       -4.042448   -0.006406    2.657649
     76          1           0        1.865082    4.866909   -0.935991
     77          1           0        3.720458    1.421160   -2.774569
     78          1           0        3.496905    0.233704    3.246494
     79          1           0        4.686686    0.703934    1.924518
     80          1           0       -7.089289    3.939428    2.371953
     81          1           0       -6.342221   -0.142017    3.580391
     82          1           0       -7.873876    1.826332    3.444740
     83          1           0        3.982905    6.149767   -1.207714
     84          1           0        5.833941    2.707405   -3.048727
     85          1           0        5.970673    5.073729   -2.266837
     86          1           0        5.972119   -3.122142   -1.551909
     87          1           0        7.472654   -3.028749    2.495076
     88          1           0        3.805305   -2.335337   -2.042856
     89          1           0        3.818629   -0.628589   -1.432157
     90          1           0        2.685654   -1.847860   -0.699873
     91          1           0        6.107151   -2.247317    4.249601
     92          1           0        4.389922   -1.752161    3.931175
     93          1           0        5.734273   -0.548058    3.740051
     94          1           0        7.719179   -3.722300    0.116768
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0834744      0.0418876      0.0367398
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.5325013194 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247892990934     A.U. after   11 cycles
             Convg  =    0.7598D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000016840   -0.000054667   -0.000040864
      2        8          -0.000013419    0.000013028   -0.000012249
      3        8          -0.000044841    0.000018217   -0.000040000
      4        8          -0.000004192   -0.000012101   -0.000012796
      5        8          -0.000007637    0.000049463    0.000007764
      6        7          -0.000070984   -0.000047634    0.000025510
      7        7           0.000003786   -0.000078455   -0.000000941
      8        7          -0.000004039   -0.000032637    0.000022139
      9        7          -0.000058038   -0.000002321    0.000021521
     10        6           0.000004614    0.000031105    0.000009691
     11        6           0.000034294    0.000006684    0.000008069
     12        6          -0.000000545   -0.000020840    0.000007983
     13        6          -0.000012468    0.000032607    0.000044268
     14        6           0.000006655    0.000012659    0.000017876
     15        6           0.000000851    0.000029514   -0.000001622
     16        6           0.000011402   -0.000011290   -0.000012814
     17        6           0.000018154   -0.000002363    0.000017105
     18        6           0.000002515   -0.000000001   -0.000009569
     19        6          -0.000017158   -0.000001371    0.000003062
     20        6          -0.000020412    0.000003975    0.000010275
     21        6           0.000135835    0.000021817    0.000012906
     22        6           0.000000494    0.000000065   -0.000006986
     23        6          -0.000002373   -0.000021635   -0.000023274
     24        6           0.000013830    0.000013434   -0.000020861
     25        6          -0.000015604    0.000003123    0.000009706
     26        6           0.000007061   -0.000000576    0.000007448
     27        6           0.000009849    0.000035617   -0.000002207
     28        6          -0.000011484    0.000002798   -0.000002893
     29        6           0.000008204   -0.000004514   -0.000004758
     30        6          -0.000008107   -0.000000344   -0.000000958
     31        6           0.000011534   -0.000011753   -0.000006847
     32        6          -0.000012966   -0.000004751   -0.000025820
     33        6           0.000003338   -0.000012303    0.000004773
     34        6          -0.000015209    0.000008984   -0.000008642
     35        6           0.000011405    0.000003335    0.000007962
     36        6           0.000006130   -0.000007632    0.000002854
     37        6          -0.000001952    0.000006015    0.000000987
     38        6          -0.000006950    0.000005023   -0.000003119
     39        6          -0.000014106   -0.000027030    0.000044750
     40        6          -0.000014979   -0.000003441   -0.000027029
     41        6           0.000035721    0.000005361   -0.000006510
     42        6           0.000031594   -0.000006932    0.000002431
     43        6          -0.000000710    0.000023282   -0.000031528
     44        6           0.000007485    0.000013086    0.000014215
     45        6          -0.000005294   -0.000003909   -0.000000189
     46        6          -0.000013245   -0.000018156    0.000032823
     47        1          -0.000011389    0.000008702   -0.000004940
     48        1          -0.000007751    0.000008620   -0.000008287
     49        1          -0.000002177   -0.000003293   -0.000014089
     50        1           0.000008048   -0.000001384    0.000002223
     51        1           0.000000267   -0.000004839    0.000013851
     52        1          -0.000000352    0.000002138   -0.000007653
     53        1          -0.000005627   -0.000000841    0.000009559
     54        1          -0.000007493    0.000029760   -0.000002367
     55        1           0.000000353   -0.000001254   -0.000001609
     56        1           0.000006856    0.000006850    0.000000980
     57        1           0.000005391    0.000008920    0.000003652
     58        1           0.000006768    0.000008002   -0.000006933
     59        1          -0.000005233    0.000004032   -0.000004984
     60        1          -0.000002519    0.000004486   -0.000003227
     61        1          -0.000001617    0.000005913    0.000001337
     62        1           0.000000668    0.000002035   -0.000010469
     63        1          -0.000000060    0.000001632   -0.000000663
     64        1          -0.000002118    0.000002455    0.000002352
     65        1           0.000004972   -0.000002397   -0.000000750
     66        1           0.000000161    0.000003613   -0.000003565
     67        1           0.000001457    0.000002564    0.000001384
     68        1           0.000000150   -0.000002060    0.000010150
     69        1          -0.000007028   -0.000004632    0.000003369
     70        1          -0.000007906   -0.000006119   -0.000005066
     71        1           0.000010252   -0.000001471    0.000004029
     72        1           0.000002541   -0.000022726    0.000013878
     73        1           0.000035644    0.000026208   -0.000014277
     74        1           0.000003562   -0.000001302    0.000001370
     75        1           0.000004647   -0.000002624    0.000008259
     76        1           0.000000677    0.000000218   -0.000000136
     77        1          -0.000005379   -0.000000006    0.000000765
     78        1           0.000000646   -0.000002648   -0.000002412
     79        1           0.000000826   -0.000017717   -0.000003498
     80        1           0.000000836    0.000001504   -0.000003703
     81        1           0.000001645   -0.000000039    0.000002073
     82        1          -0.000001471    0.000000226   -0.000001489
     83        1          -0.000000289    0.000000120   -0.000000087
     84        1           0.000000772   -0.000001238   -0.000001732
     85        1           0.000001195   -0.000000989    0.000000343
     86        1          -0.000006525    0.000002906    0.000005336
     87        1           0.000005953   -0.000003847    0.000004280
     88        1          -0.000001089    0.000000771   -0.000001226
     89        1          -0.000011239   -0.000001204   -0.000016523
     90        1           0.000005934   -0.000007274    0.000001486
     91        1           0.000003241   -0.000001987   -0.000003792
     92        1          -0.000001630    0.000002161    0.000002242
     93        1          -0.000002363   -0.000000589    0.000002616
     94        1           0.000006599    0.000006109   -0.000005699
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000135835 RMS     0.000017246

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000061168 RMS     0.000010419
 Search for a local minimum.
 Step number  40 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40
 DE= -6.83D-07 DEPred=-6.21D-07 R= 1.10D+00
 Trust test= 1.10D+00 RLast= 2.51D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00085   0.00183   0.00185   0.00226   0.00234
     Eigenvalues ---    0.00238   0.00274   0.00310   0.00325   0.00402
     Eigenvalues ---    0.00450   0.00487   0.00509   0.00545   0.00565
     Eigenvalues ---    0.00623   0.00647   0.00758   0.00803   0.00976
     Eigenvalues ---    0.01239   0.01345   0.01402   0.01434   0.01452
     Eigenvalues ---    0.01492   0.01516   0.01615   0.01722   0.01899
     Eigenvalues ---    0.02021   0.02054   0.02098   0.02116   0.02126
     Eigenvalues ---    0.02148   0.02151   0.02156   0.02157   0.02161
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02178   0.02179   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02189   0.02201   0.02280   0.02318   0.02524
     Eigenvalues ---    0.03081   0.03135   0.03390   0.03463   0.03796
     Eigenvalues ---    0.03818   0.03988   0.04040   0.04251   0.04314
     Eigenvalues ---    0.04389   0.04443   0.04616   0.04692   0.04783
     Eigenvalues ---    0.04883   0.05023   0.05049   0.05081   0.05258
     Eigenvalues ---    0.05327   0.05407   0.05439   0.05505   0.05561
     Eigenvalues ---    0.05603   0.05637   0.05651   0.05697   0.05926
     Eigenvalues ---    0.06060   0.06459   0.06865   0.07004   0.07117
     Eigenvalues ---    0.07185   0.07266   0.07377   0.07524   0.07547
     Eigenvalues ---    0.07917   0.08093   0.08331   0.08765   0.09230
     Eigenvalues ---    0.09402   0.09511   0.09764   0.11059   0.11611
     Eigenvalues ---    0.12159   0.12593   0.12890   0.12971   0.14094
     Eigenvalues ---    0.14483   0.15377   0.15791   0.15902   0.15970
     Eigenvalues ---    0.15980   0.15997   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16002   0.16005   0.16006
     Eigenvalues ---    0.16008   0.16011   0.16016   0.16022   0.16043
     Eigenvalues ---    0.16092   0.16195   0.16233   0.16675   0.16783
     Eigenvalues ---    0.17536   0.17844   0.19177   0.19334   0.19734
     Eigenvalues ---    0.20298   0.20578   0.21105   0.21551   0.21938
     Eigenvalues ---    0.21999   0.22000   0.22003   0.22016   0.22081
     Eigenvalues ---    0.22377   0.22687   0.23196   0.23414   0.23461
     Eigenvalues ---    0.23496   0.23549   0.23744   0.24114   0.24681
     Eigenvalues ---    0.24698   0.24883   0.24965   0.25025   0.25217
     Eigenvalues ---    0.25410   0.25950   0.26354   0.26701   0.27209
     Eigenvalues ---    0.27803   0.28030   0.28175   0.28427   0.28796
     Eigenvalues ---    0.29152   0.29382   0.29898   0.29994   0.30420
     Eigenvalues ---    0.30820   0.31228   0.31753   0.32274   0.32870
     Eigenvalues ---    0.33465   0.34136   0.34436   0.34472   0.34530
     Eigenvalues ---    0.34605   0.34627   0.34636   0.34667   0.34690
     Eigenvalues ---    0.34707   0.34717   0.34730   0.34736   0.34747
     Eigenvalues ---    0.34754   0.34759   0.34773   0.34778   0.34793
     Eigenvalues ---    0.34802   0.34817   0.34818   0.34824   0.34838
     Eigenvalues ---    0.34847   0.34876   0.34923   0.34996   0.35095
     Eigenvalues ---    0.35466   0.35631   0.35868   0.35887   0.35909
     Eigenvalues ---    0.35937   0.35964   0.35980   0.35992   0.35998
     Eigenvalues ---    0.36010   0.36032   0.36033   0.36046   0.36066
     Eigenvalues ---    0.36169   0.37627   0.38902   0.39288   0.40718
     Eigenvalues ---    0.41163   0.42244   0.42300   0.42372   0.43148
     Eigenvalues ---    0.43662   0.44236   0.45214   0.45588   0.45948
     Eigenvalues ---    0.46129   0.46145   0.46267   0.46342   0.46500
     Eigenvalues ---    0.46583   0.46739   0.46766   0.46815   0.46931
     Eigenvalues ---    0.47220   0.47883   0.48908   0.51446   0.52024
     Eigenvalues ---    0.53575   0.56199   0.58204   0.58976   0.60973
     Eigenvalues ---    0.65209   0.73521   0.89790   0.91362   0.93072
     Eigenvalues ---    0.960441000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    40   39   38   37   36
 RFO step:  Lambda=-9.73486035D-08.
 DIIS coeffs:      1.27946     -0.21644     -0.18044      0.08814      0.02928
 Iteration  1 RMS(Cart)=  0.00337600 RMS(Int)=  0.00000157
 Iteration  2 RMS(Cart)=  0.00000695 RMS(Int)=  0.00000016
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000016
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68043  -0.00005   0.00005  -0.00010  -0.00005   2.68037
    R2        1.83004  -0.00004   0.00002  -0.00005  -0.00002   1.83002
    R3        2.36389  -0.00001   0.00001  -0.00002  -0.00001   2.36388
    R4        2.38336   0.00006  -0.00001   0.00006   0.00005   2.38340
    R5        2.35981   0.00001  -0.00002   0.00000  -0.00002   2.35979
    R6        2.70547   0.00004   0.00002   0.00008   0.00010   2.70556
    R7        2.63194   0.00004  -0.00001   0.00006   0.00005   2.63199
    R8        2.74058  -0.00005  -0.00006   0.00003  -0.00003   2.74054
    R9        2.73796  -0.00002  -0.00001   0.00000  -0.00002   2.73794
   R10        2.66794   0.00004  -0.00009   0.00009   0.00001   2.66795
   R11        2.72941  -0.00003   0.00004  -0.00012  -0.00008   2.72932
   R12        2.58727  -0.00002   0.00001  -0.00003  -0.00002   2.58725
   R13        1.89033   0.00003  -0.00004   0.00003  -0.00001   1.89032
   R14        2.73100   0.00002  -0.00003   0.00011   0.00008   2.73108
   R15        2.59814   0.00003   0.00001   0.00006   0.00007   2.59821
   R16        1.88301   0.00001  -0.00001   0.00002   0.00002   1.88303
   R17        2.64009  -0.00006   0.00003  -0.00007  -0.00005   2.64004
   R18        2.71751  -0.00002  -0.00002  -0.00005  -0.00006   2.71744
   R19        1.87836  -0.00002  -0.00002  -0.00002  -0.00005   1.87831
   R20        2.90694   0.00001   0.00001  -0.00002  -0.00002   2.90692
   R21        2.91750   0.00000  -0.00001  -0.00002  -0.00003   2.91747
   R22        2.14666   0.00001   0.00001   0.00002   0.00003   2.14668
   R23        2.91729  -0.00001   0.00001   0.00003   0.00004   2.91733
   R24        2.94438  -0.00001  -0.00004   0.00003  -0.00001   2.94436
   R25        2.14525   0.00001   0.00000   0.00003   0.00003   2.14528
   R26        2.87463   0.00000  -0.00002   0.00002   0.00000   2.87463
   R27        2.12583  -0.00001   0.00002  -0.00002   0.00000   2.12584
   R28        2.11892   0.00000   0.00000  -0.00001   0.00000   2.11892
   R29        2.94814  -0.00003  -0.00001   0.00005   0.00004   2.94818
   R30        2.13356  -0.00001   0.00000  -0.00002  -0.00002   2.13354
   R31        2.86689   0.00000   0.00000   0.00002   0.00002   2.86691
   R32        2.86175  -0.00002  -0.00001   0.00001   0.00000   2.86175
   R33        2.12800   0.00000   0.00001  -0.00001   0.00000   2.12800
   R34        2.91093   0.00001   0.00000   0.00004   0.00004   2.91097
   R35        2.13890  -0.00001   0.00001  -0.00001   0.00000   2.13891
   R36        2.81143   0.00000  -0.00001   0.00002   0.00001   2.81144
   R37        2.12152   0.00000   0.00000   0.00000   0.00001   2.12153
   R38        2.12173  -0.00001   0.00003  -0.00001   0.00002   2.12175
   R39        2.88458  -0.00002   0.00000  -0.00004  -0.00004   2.88454
   R40        2.13286   0.00001  -0.00001   0.00001   0.00001   2.13287
   R41        2.13726  -0.00001  -0.00001  -0.00002  -0.00002   2.13724
   R42        2.88367  -0.00001   0.00000  -0.00002  -0.00002   2.88365
   R43        2.11487  -0.00001   0.00000  -0.00002  -0.00002   2.11485
   R44        2.12324   0.00000   0.00001   0.00000   0.00001   2.12325
   R45        2.80931   0.00001  -0.00001   0.00001   0.00001   2.80932
   R46        2.12200   0.00000   0.00000   0.00000   0.00000   2.12201
   R47        2.12311   0.00000   0.00000   0.00000   0.00000   2.12311
   R48        2.11006   0.00000   0.00000   0.00000   0.00001   2.11006
   R49        2.11045   0.00000   0.00000   0.00001   0.00001   2.11046
   R50        2.11113   0.00000   0.00000   0.00000   0.00001   2.11114
   R51        2.11036   0.00000   0.00000   0.00001   0.00001   2.11037
   R52        2.10890   0.00000   0.00000   0.00001   0.00001   2.10890
   R53        2.11165   0.00001   0.00000   0.00002   0.00002   2.11166
   R54        2.12931  -0.00001   0.00001   0.00000   0.00001   2.12933
   R55        2.13428  -0.00001   0.00002  -0.00002   0.00000   2.13429
   R56        2.64622   0.00000   0.00001   0.00000   0.00001   2.64623
   R57        2.64642   0.00000  -0.00001   0.00001   0.00000   2.64642
   R58        2.64660   0.00001  -0.00001   0.00000  -0.00001   2.64659
   R59        2.64470   0.00000   0.00000   0.00000   0.00001   2.64471
   R60        2.88852   0.00001   0.00001  -0.00001   0.00000   2.88852
   R61        2.63333  -0.00001   0.00000  -0.00001  -0.00001   2.63333
   R62        2.07897   0.00000   0.00001   0.00000   0.00001   2.07898
   R63        2.63513   0.00001   0.00000   0.00001   0.00001   2.63514
   R64        2.08477   0.00001   0.00000   0.00001   0.00001   2.08478
   R65        2.63300   0.00000   0.00000   0.00001   0.00001   2.63300
   R66        2.07907   0.00000   0.00000   0.00000   0.00000   2.07906
   R67        2.63467   0.00000   0.00000  -0.00001  -0.00001   2.63466
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07933
   R69        2.12347   0.00000  -0.00001  -0.00002  -0.00002   2.12345
   R70        2.11681   0.00002  -0.00001   0.00003   0.00002   2.11683
   R71        2.63582   0.00001   0.00000   0.00001   0.00000   2.63582
   R72        2.07825   0.00000   0.00000   0.00000   0.00000   2.07826
   R73        2.63523  -0.00001   0.00001  -0.00001   0.00000   2.63523
   R74        2.07903   0.00000   0.00000   0.00000   0.00001   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63637  -0.00001   0.00000  -0.00001  -0.00001   2.63636
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63491   0.00000   0.00000   0.00000   0.00001   2.63492
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66140  -0.00002   0.00000   0.00000   0.00000   2.66140
   R82        2.65832   0.00003  -0.00001   0.00003   0.00003   2.65835
   R83        2.64276   0.00002   0.00000   0.00002   0.00002   2.64278
   R84        2.79767   0.00000  -0.00002   0.00002   0.00000   2.79767
   R85        2.64431   0.00000   0.00000  -0.00001  -0.00001   2.64430
   R86        2.79805   0.00000  -0.00001  -0.00003  -0.00003   2.79802
   R87        2.63224   0.00000   0.00001   0.00000   0.00000   2.63225
   R88        2.07980   0.00000   0.00000   0.00000   0.00000   2.07980
   R89        2.63123   0.00003   0.00000   0.00002   0.00002   2.63125
   R90        2.07986   0.00000   0.00000   0.00000   0.00001   2.07987
   R91        2.11237   0.00000   0.00000   0.00000   0.00000   2.11237
   R92        2.11705   0.00001  -0.00001   0.00002   0.00001   2.11706
   R93        2.11619  -0.00001   0.00002   0.00000   0.00002   2.11620
   R94        2.11222   0.00000   0.00000   0.00000   0.00000   2.11222
   R95        2.11470   0.00000   0.00000   0.00001   0.00001   2.11471
   R96        2.11559   0.00000   0.00001   0.00000   0.00001   2.11560
   R97        2.07898   0.00000   0.00001   0.00000   0.00001   2.07899
    A1        1.88824   0.00004   0.00005   0.00004   0.00009   1.88834
    A2        1.99639   0.00000  -0.00004  -0.00001  -0.00006   1.99633
    A3        2.05712  -0.00001   0.00002   0.00003   0.00005   2.05717
    A4        2.04934   0.00002   0.00000   0.00007   0.00007   2.04941
    A5        2.09005  -0.00001  -0.00002  -0.00007  -0.00010   2.08995
    A6        2.18270   0.00003  -0.00004   0.00003  -0.00001   2.18269
    A7        2.03631  -0.00001   0.00000  -0.00001  -0.00001   2.03630
    A8        2.06412  -0.00002   0.00003  -0.00003   0.00000   2.06412
    A9        2.13769  -0.00002   0.00000  -0.00005  -0.00005   2.13764
   A10        2.02508   0.00001   0.00000  -0.00003  -0.00004   2.02504
   A11        2.06280   0.00001   0.00003  -0.00010  -0.00007   2.06273
   A12        2.10799   0.00001  -0.00002   0.00010   0.00007   2.10806
   A13        2.01418   0.00000  -0.00012   0.00009  -0.00002   2.01416
   A14        2.06660  -0.00002   0.00000  -0.00004  -0.00004   2.06656
   A15        2.00629  -0.00001   0.00000  -0.00013  -0.00014   2.00615
   A16        1.94502  -0.00001   0.00004  -0.00005  -0.00001   1.94501
   A17        1.87334   0.00000   0.00002   0.00005   0.00007   1.87341
   A18        1.91040   0.00000   0.00000   0.00002   0.00002   1.91042
   A19        1.84763   0.00001  -0.00005   0.00009   0.00004   1.84767
   A20        1.87367   0.00000  -0.00001   0.00004   0.00004   1.87371
   A21        1.99283   0.00001   0.00002   0.00000   0.00002   1.99285
   A22        1.92585  -0.00003   0.00000   0.00005   0.00005   1.92590
   A23        1.86876   0.00001  -0.00005   0.00001  -0.00003   1.86873
   A24        1.90765   0.00001   0.00001  -0.00001   0.00000   1.90766
   A25        1.86690   0.00000   0.00001   0.00000   0.00001   1.86691
   A26        1.89864   0.00001   0.00001  -0.00006  -0.00005   1.89859
   A27        2.00048  -0.00002   0.00002  -0.00007  -0.00005   2.00043
   A28        1.88391   0.00001   0.00000   0.00002   0.00002   1.88393
   A29        1.87798   0.00001  -0.00002   0.00001  -0.00001   1.87797
   A30        1.90693   0.00001  -0.00003   0.00007   0.00005   1.90698
   A31        1.90768  -0.00001   0.00004  -0.00003   0.00001   1.90769
   A32        1.88342  -0.00001  -0.00001  -0.00001  -0.00002   1.88341
   A33        1.97251   0.00006   0.00001   0.00013   0.00014   1.97265
   A34        1.91200  -0.00003  -0.00004  -0.00008  -0.00012   1.91188
   A35        1.81887  -0.00001   0.00005  -0.00013  -0.00009   1.81879
   A36        1.93741  -0.00003  -0.00001   0.00006   0.00005   1.93746
   A37        1.92127   0.00000   0.00001  -0.00001   0.00000   1.92128
   A38        1.89711   0.00001  -0.00001   0.00001   0.00000   1.89711
   A39        1.90537  -0.00001   0.00000  -0.00005  -0.00005   1.90532
   A40        1.94278   0.00000   0.00001   0.00003   0.00004   1.94282
   A41        1.89460   0.00000   0.00001  -0.00005  -0.00005   1.89455
   A42        1.91276   0.00001  -0.00002   0.00005   0.00004   1.91280
   A43        1.89525   0.00000   0.00001  -0.00001   0.00001   1.89525
   A44        1.91238   0.00000  -0.00001   0.00002   0.00001   1.91239
   A45        1.94147   0.00000  -0.00001   0.00001   0.00000   1.94147
   A46        1.95063   0.00002   0.00003   0.00005   0.00009   1.95071
   A47        1.88302   0.00000   0.00000   0.00008   0.00008   1.88310
   A48        1.91106  -0.00001  -0.00002  -0.00002  -0.00003   1.91103
   A49        1.88193   0.00000  -0.00001  -0.00002  -0.00004   1.88189
   A50        1.89364   0.00000   0.00001  -0.00011  -0.00010   1.89354
   A51        1.96014  -0.00003   0.00008  -0.00007   0.00001   1.96015
   A52        1.91893   0.00001   0.00000   0.00000   0.00000   1.91893
   A53        1.87714   0.00001  -0.00005   0.00003  -0.00002   1.87712
   A54        1.91755   0.00001  -0.00002   0.00005   0.00003   1.91758
   A55        1.91274   0.00001  -0.00003   0.00000  -0.00003   1.91272
   A56        1.87501  -0.00001   0.00001  -0.00001   0.00001   1.87501
   A57        2.14986   0.00000   0.00001  -0.00007  -0.00006   2.14980
   A58        2.12108   0.00002   0.00000   0.00010   0.00010   2.12118
   A59        2.01161  -0.00002   0.00000  -0.00003  -0.00004   2.01158
   A60        2.00095   0.00000  -0.00007  -0.00001  -0.00008   2.00087
   A61        1.87288   0.00000   0.00003  -0.00002   0.00000   1.87289
   A62        1.90239   0.00000  -0.00001   0.00001   0.00000   1.90239
   A63        1.90647   0.00000  -0.00001   0.00000   0.00000   1.90647
   A64        1.89088  -0.00001   0.00003  -0.00003   0.00000   1.89088
   A65        1.88743   0.00000   0.00004   0.00006   0.00009   1.88752
   A66        1.93932   0.00001  -0.00005   0.00003  -0.00003   1.93929
   A67        1.89998   0.00000   0.00003  -0.00001   0.00002   1.89999
   A68        1.91145   0.00000   0.00000   0.00003   0.00002   1.91147
   A69        1.90533   0.00000   0.00003  -0.00002   0.00001   1.90534
   A70        1.92272   0.00000   0.00001  -0.00002  -0.00001   1.92271
   A71        1.88404   0.00000  -0.00001   0.00000  -0.00001   1.88403
   A72        1.96943   0.00000  -0.00003  -0.00004  -0.00007   1.96936
   A73        1.90868   0.00000   0.00003   0.00001   0.00003   1.90872
   A74        1.87777   0.00000  -0.00001  -0.00004  -0.00005   1.87771
   A75        1.92409   0.00001  -0.00001   0.00002   0.00002   1.92411
   A76        1.90472   0.00000   0.00005   0.00002   0.00007   1.90479
   A77        1.87630   0.00000  -0.00002   0.00004   0.00001   1.87631
   A78        2.11666  -0.00001   0.00002  -0.00004  -0.00002   2.11665
   A79        2.08065   0.00001  -0.00005   0.00004  -0.00001   2.08064
   A80        2.08319   0.00000   0.00003   0.00001   0.00004   2.08323
   A81        1.93345   0.00000   0.00000   0.00000   0.00000   1.93345
   A82        1.91409   0.00000   0.00000   0.00002   0.00002   1.91410
   A83        1.93017  -0.00001   0.00002  -0.00004  -0.00002   1.93015
   A84        1.89262   0.00000   0.00000   0.00000   0.00000   1.89261
   A85        1.90097   0.00000  -0.00001   0.00001   0.00000   1.90097
   A86        1.89164   0.00000  -0.00001   0.00001   0.00000   1.89165
   A87        1.93025   0.00000   0.00000   0.00000   0.00000   1.93025
   A88        1.94285   0.00000  -0.00002   0.00002  -0.00001   1.94284
   A89        1.91586   0.00000  -0.00001   0.00002   0.00001   1.91587
   A90        1.89248   0.00000   0.00002  -0.00001   0.00000   1.89249
   A91        1.89315   0.00000   0.00000   0.00001   0.00001   1.89315
   A92        1.88801   0.00000   0.00002  -0.00003  -0.00001   1.88800
   A93        1.97434  -0.00001   0.00003  -0.00005  -0.00002   1.97432
   A94        1.90978   0.00000   0.00001   0.00002   0.00003   1.90981
   A95        1.88459   0.00000  -0.00001   0.00004   0.00003   1.88463
   A96        1.90915   0.00000  -0.00002  -0.00003  -0.00005   1.90910
   A97        1.90295   0.00000   0.00001   0.00000   0.00001   1.90296
   A98        1.88065   0.00000  -0.00003   0.00002  -0.00001   1.88065
   A99        2.09424   0.00000  -0.00002  -0.00001  -0.00003   2.09421
   A100       2.10626  -0.00001   0.00004   0.00000   0.00004   2.10630
   A101       2.08263   0.00001  -0.00002   0.00001  -0.00001   2.08261
   A102       2.09862  -0.00001   0.00000  -0.00004  -0.00004   2.09859
   A103       2.10294   0.00002   0.00000   0.00004   0.00004   2.10298
   A104       2.08153   0.00000   0.00000   0.00000   0.00000   2.08153
   A105       2.14021  -0.00001   0.00001   0.00004   0.00005   2.14026
   A106       2.06701  -0.00001   0.00007   0.00005   0.00011   2.06712
   A107       2.07421   0.00002  -0.00008  -0.00010  -0.00019   2.07402
   A108       2.10062   0.00000   0.00001  -0.00001   0.00001   2.10063
   A109       2.08997   0.00000   0.00002  -0.00001   0.00001   2.08998
   A110       2.09260   0.00001  -0.00003   0.00002  -0.00001   2.09258
   A111       2.09721   0.00000   0.00001  -0.00001   0.00001   2.09722
   A112       2.10068   0.00000   0.00002   0.00000   0.00003   2.10071
   A113       2.08528   0.00001  -0.00004   0.00000  -0.00003   2.08525
   A114       2.10005   0.00000   0.00000   0.00000   0.00000   2.10006
   A115       2.08875   0.00000   0.00000   0.00000  -0.00001   2.08875
   A116       2.09436   0.00000   0.00000   0.00000   0.00000   2.09436
   A117       2.09993   0.00000   0.00000   0.00000   0.00000   2.09992
   A118       2.09146   0.00000  -0.00001  -0.00003  -0.00004   2.09142
   A119       2.09180   0.00000   0.00001   0.00003   0.00004   2.09184
   A120       1.93381   0.00000  -0.00017  -0.00025  -0.00041   1.93340
   A121       1.87132   0.00000   0.00012   0.00011   0.00023   1.87156
   A122       1.95693   0.00001  -0.00005   0.00003  -0.00002   1.95691
   A123       1.88406   0.00000   0.00004   0.00003   0.00007   1.88414
   A124       1.89416  -0.00001   0.00006   0.00005   0.00011   1.89427
   A125       1.92233   0.00000  -0.00001   0.00002   0.00002   1.92235
   A126       2.09597   0.00000   0.00000   0.00000   0.00001   2.09597
   A127       2.09219   0.00000  -0.00001   0.00000  -0.00001   2.09218
   A128       2.09503   0.00000   0.00001  -0.00001   0.00001   2.09504
   A129       2.09868   0.00000   0.00000  -0.00001   0.00000   2.09868
   A130       2.08840   0.00000   0.00000  -0.00001   0.00000   2.08839
   A131       2.09611   0.00000  -0.00001   0.00001   0.00000   2.09611
   A132       2.09126   0.00000  -0.00001   0.00001  -0.00001   2.09126
   A133       2.09569   0.00000   0.00002  -0.00001   0.00001   2.09570
   A134       2.09623   0.00000   0.00000   0.00000   0.00000   2.09622
   A135       2.09675   0.00000   0.00000   0.00000   0.00000   2.09675
   A136       2.09188   0.00000   0.00000   0.00000   0.00000   2.09189
   A137       2.09455   0.00000   0.00000   0.00000   0.00000   2.09455
   A138       2.09689   0.00000   0.00000   0.00000   0.00000   2.09689
   A139       2.09175   0.00000   0.00000   0.00001   0.00001   2.09175
   A140       2.09455   0.00000   0.00000  -0.00001  -0.00001   2.09455
   A141       2.09122   0.00000   0.00000   0.00000   0.00000   2.09122
   A142       2.09568   0.00000   0.00000   0.00000   0.00000   2.09568
   A143       2.09629   0.00000   0.00000  -0.00001   0.00000   2.09628
   A144       2.04715   0.00001  -0.00002   0.00003   0.00001   2.04716
   A145       2.11399  -0.00001   0.00001  -0.00004  -0.00003   2.11396
   A146       2.11786   0.00000   0.00001  -0.00001   0.00001   2.11787
   A147       2.06845   0.00000   0.00000   0.00001   0.00001   2.06845
   A148       2.11534  -0.00001  -0.00003  -0.00007  -0.00009   2.11524
   A149       2.09938   0.00001   0.00003   0.00006   0.00009   2.09946
   A150       2.06870   0.00000  -0.00001   0.00001  -0.00001   2.06870
   A151       2.12014  -0.00001  -0.00002  -0.00005  -0.00007   2.12007
   A152       2.09430   0.00001   0.00003   0.00004   0.00007   2.09438
   A153       2.10627   0.00000  -0.00001  -0.00001  -0.00002   2.10625
   A154       2.08431  -0.00001   0.00001  -0.00001   0.00000   2.08430
   A155       2.09261   0.00001   0.00000   0.00002   0.00002   2.09263
   A156       2.10619   0.00000   0.00000  -0.00001  -0.00001   2.10618
   A157       2.08398   0.00001  -0.00001   0.00003   0.00003   2.08401
   A158       2.09299  -0.00001   0.00000  -0.00002  -0.00002   2.09297
   A159       1.93809   0.00001   0.00001   0.00006   0.00007   1.93816
   A160       1.92054   0.00000   0.00001  -0.00001   0.00000   1.92054
   A161       1.92932   0.00000  -0.00001  -0.00004  -0.00005   1.92927
   A162       1.88814   0.00001  -0.00002   0.00006   0.00003   1.88818
   A163       1.89238   0.00000   0.00002   0.00000   0.00003   1.89241
   A164       1.89421   0.00000  -0.00001  -0.00006  -0.00007   1.89413
   A165       1.93756   0.00000   0.00001   0.00004   0.00005   1.93761
   A166       1.92634   0.00000   0.00001  -0.00002  -0.00001   1.92633
   A167       1.92506   0.00000  -0.00003  -0.00007  -0.00010   1.92497
   A168       1.89371   0.00000   0.00000   0.00003   0.00003   1.89374
   A169       1.88922   0.00000   0.00002   0.00001   0.00003   1.88925
   A170       1.89075   0.00000   0.00000   0.00000   0.00000   1.89075
   A171       2.09866   0.00000   0.00001   0.00001   0.00002   2.09868
   A172       2.09205   0.00001  -0.00001   0.00003   0.00002   2.09207
   A173       2.09246  -0.00001   0.00001  -0.00004  -0.00004   2.09243
    D1        0.60452  -0.00001  -0.00047  -0.00054  -0.00101   0.60350
    D2       -1.56567   0.00000  -0.00043  -0.00065  -0.00109  -1.56675
    D3        2.69019   0.00000  -0.00043  -0.00056  -0.00099   2.68920
    D4        2.39559   0.00000   0.00111   0.00156   0.00267   2.39826
    D5       -1.83560   0.00000   0.00114   0.00154   0.00267  -1.83293
    D6        0.27636   0.00000   0.00118   0.00165   0.00284   0.27920
    D7       -2.12454   0.00001   0.00053   0.00084   0.00138  -2.12317
    D8        1.11400   0.00001   0.00048   0.00103   0.00151   1.11551
    D9        0.92454   0.00001   0.00003   0.00001   0.00003   0.92457
   D10       -1.23210   0.00001   0.00000  -0.00002  -0.00002  -1.23211
   D11        2.98746   0.00001   0.00002   0.00002   0.00003   2.98750
   D12       -2.65269   0.00000   0.00000   0.00007   0.00007  -2.65262
   D13        1.47386   0.00000  -0.00003   0.00004   0.00001   1.47388
   D14       -0.58976   0.00000  -0.00001   0.00007   0.00006  -0.58970
   D15        2.59018  -0.00001  -0.00069  -0.00037  -0.00106   2.58912
   D16       -1.57233  -0.00001  -0.00072  -0.00039  -0.00112  -1.57344
   D17        0.46773   0.00000  -0.00068  -0.00033  -0.00101   0.46672
   D18       -0.10531  -0.00001  -0.00067  -0.00047  -0.00114  -0.10645
   D19        2.01537  -0.00001  -0.00070  -0.00049  -0.00119   2.01418
   D20       -2.22776   0.00000  -0.00066  -0.00043  -0.00108  -2.22885
   D21        0.08440   0.00000   0.00017   0.00004   0.00021   0.08460
   D22       -3.13642   0.00001   0.00021   0.00016   0.00037  -3.13605
   D23        2.78183  -0.00001   0.00016   0.00012   0.00028   2.78211
   D24       -0.43899   0.00001   0.00019   0.00025   0.00044  -0.43855
   D25       -0.85584  -0.00001  -0.00023   0.00003  -0.00020  -0.85604
   D26       -3.04225  -0.00001  -0.00026   0.00015  -0.00010  -3.04235
   D27        1.19409   0.00000  -0.00028   0.00010  -0.00019   1.19390
   D28        2.29748  -0.00001   0.00048   0.00049   0.00097   2.29845
   D29        0.11108   0.00000   0.00045   0.00062   0.00107   0.11214
   D30       -1.93577   0.00000   0.00042   0.00056   0.00099  -1.93478
   D31        0.09060  -0.00001   0.00002   0.00007   0.00009   0.09069
   D32       -3.08859  -0.00001   0.00017   0.00007   0.00024  -3.08835
   D33       -3.06290  -0.00002  -0.00070  -0.00040  -0.00110  -3.06400
   D34        0.04110  -0.00002  -0.00054  -0.00041  -0.00095   0.04015
   D35       -1.77675   0.00000  -0.00047  -0.00001  -0.00047  -1.77723
   D36        2.36438   0.00001  -0.00046  -0.00003  -0.00049   2.36389
   D37        0.28399   0.00000  -0.00049   0.00002  -0.00047   0.28352
   D38        0.99970  -0.00001  -0.00039  -0.00058  -0.00097   0.99872
   D39       -1.14235   0.00000  -0.00038  -0.00061  -0.00099  -1.14335
   D40        3.06044   0.00000  -0.00041  -0.00056  -0.00097   3.05947
   D41       -0.15353  -0.00002   0.00039  -0.00048  -0.00009  -0.15362
   D42        3.05275  -0.00001   0.00043  -0.00013   0.00030   3.05305
   D43       -2.92251  -0.00001   0.00031   0.00010   0.00041  -2.92210
   D44        0.28377   0.00000   0.00035   0.00045   0.00080   0.28457
   D45       -2.90538   0.00001   0.00053   0.00033   0.00086  -2.90452
   D46        0.31379   0.00000   0.00049   0.00021   0.00070   0.31449
   D47       -0.22419   0.00000   0.00020   0.00067   0.00088  -0.22331
   D48        2.99498  -0.00001   0.00017   0.00056   0.00072   2.99570
   D49        0.33841  -0.00001  -0.00058  -0.00037  -0.00095   0.33746
   D50        2.47164  -0.00001  -0.00057  -0.00043  -0.00100   2.47064
   D51       -1.76911   0.00000  -0.00060  -0.00037  -0.00097  -1.77008
   D52       -2.32936   0.00000  -0.00022  -0.00076  -0.00098  -2.33034
   D53       -0.19613   0.00000  -0.00021  -0.00082  -0.00103  -0.19716
   D54        1.84630   0.00001  -0.00024  -0.00076  -0.00100   1.84530
   D55       -0.90027   0.00000   0.00030  -0.00014   0.00016  -0.90011
   D56        1.22881   0.00001   0.00028  -0.00008   0.00020   1.22901
   D57       -3.02591   0.00001   0.00026  -0.00007   0.00019  -3.02572
   D58        1.30405  -0.00001   0.00035  -0.00030   0.00006   1.30411
   D59       -2.85006   0.00000   0.00033  -0.00024   0.00010  -2.84996
   D60       -0.82159   0.00000   0.00031  -0.00023   0.00008  -0.82151
   D61       -2.96470  -0.00001   0.00032  -0.00019   0.00013  -2.96457
   D62       -0.83562   0.00000   0.00029  -0.00013   0.00017  -0.83546
   D63        1.19284   0.00000   0.00027  -0.00012   0.00015   1.19300
   D64       -1.07698   0.00000   0.00008  -0.00048  -0.00040  -1.07738
   D65        1.06387  -0.00001   0.00012  -0.00047  -0.00036   1.06351
   D66        3.10031   0.00000   0.00010  -0.00047  -0.00036   3.09995
   D67        2.96740   0.00000   0.00006  -0.00028  -0.00023   2.96717
   D68       -1.17494   0.00000   0.00009  -0.00027  -0.00018  -1.17512
   D69        0.86151   0.00001   0.00008  -0.00027  -0.00019   0.86132
   D70        0.96966   0.00000   0.00012  -0.00042  -0.00030   0.96936
   D71        3.11051  -0.00001   0.00016  -0.00041  -0.00025   3.11026
   D72       -1.13623   0.00000   0.00015  -0.00041  -0.00026  -1.13649
   D73        3.04820   0.00001  -0.00024  -0.00019  -0.00043   3.04777
   D74        0.93438   0.00001  -0.00022  -0.00025  -0.00047   0.93391
   D75       -1.17187   0.00001  -0.00022  -0.00026  -0.00048  -1.17234
   D76       -1.06857  -0.00001  -0.00022  -0.00014  -0.00035  -1.06892
   D77        3.10079  -0.00001  -0.00020  -0.00019  -0.00039   3.10040
   D78        0.99455  -0.00001  -0.00020  -0.00020  -0.00040   0.99415
   D79        0.98421   0.00000  -0.00020  -0.00021  -0.00041   0.98381
   D80       -1.12961   0.00000  -0.00018  -0.00027  -0.00045  -1.13005
   D81        3.04733   0.00000  -0.00018  -0.00028  -0.00045   3.04688
   D82        1.71088   0.00000   0.00050   0.00060   0.00110   1.71198
   D83       -1.39380   0.00001   0.00034   0.00061   0.00095  -1.39284
   D84       -0.49436   0.00000   0.00046   0.00058   0.00104  -0.49332
   D85        2.68415   0.00001   0.00031   0.00058   0.00090   2.68504
   D86       -2.52709   0.00000   0.00044   0.00061   0.00106  -2.52603
   D87        0.65142   0.00000   0.00029   0.00062   0.00091   0.65233
   D88        1.40480   0.00002   0.00024   0.00033   0.00057   1.40536
   D89       -2.72216   0.00000   0.00018   0.00036   0.00055  -2.72161
   D90       -0.62086   0.00000   0.00017   0.00042   0.00058  -0.62028
   D91       -0.71170   0.00001   0.00025   0.00030   0.00054  -0.71116
   D92        1.44453  -0.00001   0.00019   0.00033   0.00052   1.44505
   D93       -2.73736  -0.00001   0.00018   0.00038   0.00056  -2.73680
   D94       -2.76903   0.00001   0.00025   0.00028   0.00053  -2.76850
   D95       -0.61280   0.00000   0.00020   0.00031   0.00051  -0.61229
   D96        1.48849  -0.00001   0.00018   0.00037   0.00055   1.48904
   D97       -1.07123   0.00002   0.00006   0.00052   0.00058  -1.07065
   D98        1.09343   0.00003   0.00008   0.00058   0.00066   1.09409
   D99       -3.13263   0.00002   0.00007   0.00043   0.00050  -3.13212
   D100       3.02146  -0.00002   0.00008   0.00037   0.00045   3.02191
   D101      -1.09707  -0.00001   0.00011   0.00043   0.00054  -1.09654
   D102       0.96006  -0.00002   0.00010   0.00028   0.00038   0.96043
   D103       0.90590  -0.00001   0.00009   0.00033   0.00041   0.90631
   D104       3.07056   0.00000   0.00011   0.00039   0.00050   3.07106
   D105      -1.15550  -0.00001   0.00010   0.00024   0.00034  -1.15516
   D106      -1.06361   0.00000   0.00001   0.00004   0.00005  -1.06356
   D107       3.13108   0.00000   0.00001   0.00002   0.00004   3.13111
   D108       1.04583   0.00000   0.00002   0.00002   0.00004   1.04587
   D109       1.06839   0.00000   0.00001   0.00008   0.00009   1.06848
   D110      -1.02011   0.00000   0.00001   0.00007   0.00008  -1.02003
   D111      -3.10536   0.00000   0.00001   0.00006   0.00008  -3.10528
   D112      -3.12633   0.00000   0.00000   0.00013   0.00013  -3.12620
   D113       1.06836   0.00000   0.00000   0.00012   0.00012   1.06848
   D114      -1.01689   0.00000   0.00000   0.00011   0.00012  -1.01677
   D115       0.90832   0.00000  -0.00011   0.00007  -0.00004   0.90828
   D116      -1.19672   0.00000  -0.00011   0.00007  -0.00004  -1.19676
   D117       2.99660   0.00000  -0.00012   0.00009  -0.00003   2.99658
   D118      -1.20117   0.00000  -0.00010   0.00007  -0.00003  -1.20120
   D119       2.97697   0.00000  -0.00011   0.00008  -0.00003   2.97694
   D120       0.88711   0.00001  -0.00011   0.00009  -0.00001   0.88710
   D121       3.00408   0.00000  -0.00010   0.00004  -0.00006   3.00402
   D122       0.89904   0.00000  -0.00011   0.00004  -0.00006   0.89897
   D123      -1.19082   0.00000  -0.00011   0.00006  -0.00005  -1.19087
   D124      -1.03580  -0.00001   0.00005   0.00015   0.00020  -1.03561
   D125       1.11247   0.00000   0.00004   0.00015   0.00019   1.11267
   D126      -3.13783   0.00000   0.00001   0.00018   0.00019  -3.13764
   D127       3.08809   0.00000   0.00005   0.00011   0.00016   3.08826
   D128      -1.04681   0.00000   0.00004   0.00012   0.00016  -1.04665
   D129       0.98607   0.00000   0.00002   0.00014   0.00016   0.98623
   D130       1.03830   0.00000   0.00007   0.00021   0.00028   1.03858
   D131      -3.09661   0.00001   0.00006   0.00022   0.00028  -3.09633
   D132      -1.06373   0.00001   0.00004   0.00024   0.00028  -1.06345
   D133      -1.55210   0.00000  -0.00001  -0.00020  -0.00022  -1.55231
   D134       1.60131   0.00000  -0.00001  -0.00017  -0.00017   1.60114
   D135       2.58946   0.00000  -0.00006  -0.00019  -0.00024   2.58921
   D136      -0.54032   0.00000  -0.00006  -0.00015  -0.00020  -0.54052
   D137       0.53312   0.00000  -0.00005  -0.00020  -0.00025   0.53287
   D138      -2.59666   0.00000  -0.00004  -0.00017  -0.00021  -2.59687
   D139       0.72147   0.00000   0.00052   0.00032   0.00084   0.72231
   D140       2.82032   0.00000   0.00054   0.00030   0.00085   2.82117
   D141      -1.40666   0.00001   0.00054   0.00031   0.00086  -1.40580
   D142      -1.38073   0.00000   0.00054   0.00036   0.00089  -1.37984
   D143       0.71811   0.00000   0.00056   0.00034   0.00090   0.71901
   D144       2.77432   0.00000   0.00056   0.00035   0.00091   2.77523
   D145       2.85020   0.00000   0.00048   0.00030   0.00078   2.85099
   D146      -1.33414   0.00000   0.00050   0.00029   0.00079  -1.33335
   D147       0.72207   0.00000   0.00050   0.00029   0.00080   0.72287
   D148      -0.83471   0.00000   0.00009   0.00011   0.00020  -0.83451
   D149      -2.96830   0.00000   0.00007   0.00014   0.00021  -2.96809
   D150       1.26236   0.00000   0.00011   0.00013   0.00024   1.26260
   D151      -2.93038   0.00000   0.00007   0.00012   0.00019  -2.93019
   D152       1.21922   0.00000   0.00005   0.00015   0.00020   1.21942
   D153      -0.83331   0.00000   0.00009   0.00014   0.00023  -0.83308
   D154       1.28684   0.00000   0.00006   0.00014   0.00020   1.28705
   D155      -0.84674   0.00000   0.00003   0.00018   0.00021  -0.84653
   D156      -2.89927   0.00000   0.00007   0.00017   0.00024  -2.89903
   D157      -1.26597   0.00000  -0.00146  -0.00171  -0.00317  -1.26914
   D158       1.89007   0.00000  -0.00150  -0.00178  -0.00327   1.88680
   D159       2.87753   0.00000  -0.00146  -0.00171  -0.00317   2.87436
   D160      -0.24961   0.00000  -0.00150  -0.00178  -0.00328  -0.25289
   D161       0.82056  -0.00001  -0.00146  -0.00178  -0.00324   0.81732
   D162      -2.30659  -0.00001  -0.00150  -0.00184  -0.00334  -2.30993
   D163      -3.12976   0.00000  -0.00002   0.00003   0.00001  -3.12975
   D164       0.01040   0.00000  -0.00002   0.00001  -0.00001   0.01038
   D165       0.00018   0.00000  -0.00002  -0.00001  -0.00003   0.00015
   D166       3.14034   0.00000  -0.00002  -0.00003  -0.00005   3.14028
   D167       3.13053   0.00000   0.00004  -0.00002   0.00002   3.13055
   D168      -0.01675   0.00000   0.00009  -0.00008   0.00001  -0.01674
   D169       0.00067   0.00000   0.00004   0.00002   0.00006   0.00073
   D170       3.13658   0.00000   0.00009  -0.00004   0.00005   3.13663
   D171      -3.12607   0.00000  -0.00005  -0.00005  -0.00010  -3.12617
   D172       0.02203   0.00000  -0.00005  -0.00005  -0.00010   0.02193
   D173       0.00125   0.00000  -0.00001   0.00001   0.00001   0.00126
   D174      -3.13383   0.00000  -0.00001   0.00001   0.00000  -3.13383
   D175       3.12450   0.00000   0.00003   0.00007   0.00010   3.12460
   D176      -0.02042   0.00000   0.00002   0.00008   0.00010  -0.02032
   D177      -0.00278   0.00000  -0.00001   0.00001   0.00000  -0.00279
   D178       3.13548   0.00000  -0.00002   0.00001  -0.00001   3.13547
   D179       2.69622   0.00000  -0.00114  -0.00184  -0.00298   2.69324
   D180       0.65204   0.00000  -0.00122  -0.00186  -0.00308   0.64896
   D181      -1.43119   0.00000  -0.00127  -0.00193  -0.00320  -1.43439
   D182      -0.50732  -0.00001  -0.00118  -0.00217  -0.00335  -0.51067
   D183      -2.55150  -0.00001  -0.00126  -0.00219  -0.00345  -2.55495
   D184       1.64845   0.00000  -0.00131  -0.00226  -0.00357   1.64488
   D185      -0.00027   0.00000   0.00000  -0.00002  -0.00002  -0.00029
   D186       3.14072   0.00000   0.00001  -0.00006  -0.00005   3.14067
   D187      -3.14042   0.00000   0.00000   0.00001   0.00000  -3.14042
   D188       0.00057   0.00000   0.00001  -0.00004  -0.00003   0.00055
   D189      -0.00144   0.00000  -0.00003  -0.00002  -0.00005  -0.00148
   D190       3.13797   0.00000  -0.00003  -0.00004  -0.00008   3.13789
   D191      -3.13740   0.00000  -0.00008   0.00005  -0.00003  -3.13743
   D192       0.00201   0.00000  -0.00008   0.00002  -0.00006   0.00195
   D193       0.00128   0.00000   0.00001  -0.00002  -0.00001   0.00127
   D194      -3.13822   0.00000   0.00001   0.00000   0.00001  -3.13821
   D195       3.13634   0.00000   0.00002  -0.00002   0.00000   3.13634
   D196      -0.00315   0.00000   0.00002   0.00000   0.00002  -0.00313
   D197       0.00179   0.00000   0.00002  -0.00002   0.00000   0.00179
   D198      -3.14043   0.00000   0.00004  -0.00002   0.00002  -3.14041
   D199      -3.13647   0.00000   0.00003  -0.00003   0.00000  -3.13647
   D200       0.00449   0.00000   0.00005  -0.00002   0.00003   0.00452
   D201      -0.00049   0.00000   0.00002   0.00003   0.00004  -0.00045
   D202       3.14109   0.00000   0.00002  -0.00001   0.00001   3.14111
   D203      -3.14149   0.00000   0.00000   0.00007   0.00007  -3.14142
   D204       0.00010   0.00000   0.00001   0.00003   0.00004   0.00014
   D205       0.00135   0.00000   0.00000  -0.00001  -0.00001   0.00134
   D206      -3.14024   0.00000  -0.00001   0.00003   0.00002  -3.14022
   D207      -3.13805   0.00000   0.00001   0.00002   0.00002  -3.13803
   D208       0.00355   0.00000   0.00000   0.00006   0.00005   0.00360
   D209      -0.00229   0.00000   0.00000   0.00000   0.00000  -0.00229
   D210       3.14046   0.00000  -0.00001   0.00002   0.00001   3.14047
   D211       3.13720   0.00000   0.00000  -0.00001  -0.00002   3.13718
   D212      -0.00323   0.00000  -0.00001   0.00000  -0.00001  -0.00324
   D213       0.00076   0.00000  -0.00001   0.00002   0.00001   0.00077
   D214       3.14119   0.00000  -0.00001   0.00000  -0.00001   3.14119
   D215      -3.14020   0.00000  -0.00003   0.00001  -0.00002  -3.14022
   D216       0.00023   0.00000  -0.00003  -0.00001  -0.00003   0.00020
   D217      -3.06017   0.00000   0.00001   0.00030   0.00031  -3.05986
   D218       0.07413   0.00000   0.00005   0.00014   0.00019   0.07432
   D219      -0.01576   0.00000   0.00006   0.00012   0.00018  -0.01558
   D220       3.11854   0.00000   0.00010  -0.00004   0.00006   3.11860
   D221       3.06405   0.00000  -0.00003  -0.00035  -0.00038   3.06368
   D222      -0.06807   0.00000  -0.00008  -0.00039  -0.00047  -0.06855
   D223       0.02336   0.00000  -0.00008  -0.00016  -0.00024   0.02312
   D224      -3.10877   0.00000  -0.00013  -0.00020  -0.00034  -3.10911
   D225      -0.00278   0.00000   0.00000  -0.00002  -0.00002  -0.00280
   D226       3.14049   0.00000   0.00003  -0.00013  -0.00009   3.14040
   D227      -3.13715   0.00000  -0.00004   0.00014   0.00010  -3.13704
   D228       0.00612   0.00000  -0.00001   0.00004   0.00003   0.00615
   D229      -2.85028   0.00000  -0.00042  -0.00141  -0.00182  -2.85210
   D230       1.34286  -0.00001  -0.00040  -0.00151  -0.00191   1.34096
   D231      -0.74914   0.00000  -0.00039  -0.00139  -0.00178  -0.75092
   D232       0.28389   0.00000  -0.00037  -0.00158  -0.00195   0.28194
   D233      -1.80615  -0.00001  -0.00036  -0.00167  -0.00203  -1.80818
   D234       2.38503   0.00000  -0.00034  -0.00156  -0.00190   2.38313
   D235      -0.01261   0.00000   0.00004   0.00010   0.00014  -0.01247
   D236       3.13613   0.00000   0.00005   0.00008   0.00013   3.13626
   D237       3.11966   0.00000   0.00009   0.00014   0.00024   3.11990
   D238      -0.01478   0.00000   0.00010   0.00012   0.00022  -0.01456
   D239       2.82134   0.00000   0.00019   0.00057   0.00076   2.82210
   D240       0.72086   0.00000   0.00018   0.00052   0.00069   0.72156
   D241      -1.36784   0.00000   0.00019   0.00057   0.00076  -1.36708
   D242      -0.31065   0.00000   0.00014   0.00052   0.00066  -0.30999
   D243      -2.41113   0.00000   0.00012   0.00047   0.00060  -2.41053
   D244       1.78335   0.00000   0.00014   0.00052   0.00066   1.78402
   D245       0.01331   0.00000  -0.00004  -0.00004  -0.00008   0.01323
   D246      -3.13337   0.00000  -0.00001  -0.00012  -0.00013  -3.13350
   D247      -3.12997   0.00000  -0.00007   0.00007   0.00000  -3.12997
   D248       0.00653   0.00000  -0.00004  -0.00002  -0.00005   0.00648
   D249      -0.00542   0.00000   0.00002   0.00000   0.00001  -0.00541
   D250       3.14126   0.00000  -0.00002   0.00008   0.00006   3.14132
   D251       3.12898   0.00000   0.00001   0.00002   0.00003   3.12901
   D252      -0.00752   0.00000  -0.00003   0.00011   0.00008  -0.00744
         Item               Value     Threshold  Converged?
 Maximum Force            0.000061     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.022517     0.001800     NO 
 RMS     Displacement     0.003373     0.001200     NO 
 Predicted change in Energy=-2.177085D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.251020    0.000537   -0.926840
      2          8           0       -2.636846    0.222691   -2.480108
      3          8           0       -3.522270   -2.167917    1.270503
      4          8           0        2.348360    2.305071    2.266185
      5          8           0        3.453869   -0.993731    1.584238
      6          7           0       -2.725220   -2.635770   -0.869269
      7          7           0       -3.208476    0.393611   -0.253551
      8          7           0        2.129440    1.095053    0.319612
      9          7           0       -1.750416   -3.617349    1.122055
     10          6           0       -2.809292    1.765871   -0.044876
     11          6           0       -3.703725   -1.725099   -1.431750
     12          6           0       -1.422856    2.130209   -0.602857
     13          6           0       -0.300771    1.198911   -0.169700
     14          6           0       -4.179311   -2.105274   -2.850396
     15          6           0        1.081747    1.918388   -0.239977
     16          6           0       -2.881146    2.153769    1.447731
     17          6           0       -3.143785   -0.271199   -1.448672
     18          6           0       -1.541161   -2.925649   -1.652315
     19          6           0       -0.286547   -3.205539   -0.829147
     20          6           0        1.382527    2.312633   -1.698398
     21          6           0       -2.682071   -2.756445    0.536721
     22          6           0       -5.289601   -1.161766   -3.273064
     23          6           0       -4.680612   -3.533455   -2.898651
     24          6           0       -0.606702   -4.077336    0.381649
     25          6           0       -4.261960    2.051301    1.992019
     26          6           0        2.653814    3.069987   -1.840875
     27          6           0        2.637463    1.302409    1.580286
     28          6           0       -5.126761    3.150199    1.918170
     29          6           0       -4.706869    0.867596    2.593755
     30          6           0        2.736395    4.398066   -1.404032
     31          6           0        3.774917    2.471747   -2.427301
     32          6           0        3.660798    0.311593    2.134816
     33          6           0       -6.416935    3.067248    2.438172
     34          6           0       -5.998942    0.787828    3.112107
     35          6           0       -6.855203    1.885880    3.036342
     36          6           0        3.921515    5.115371   -1.553441
     37          6           0        4.959218    3.191943   -2.577467
     38          6           0        5.034635    4.514255   -2.141597
     39          6           0        4.623321   -1.654133    1.215295
     40          6           0        4.742235   -2.054077   -0.129830
     41          6           0        5.589613   -2.011510    2.173141
     42          6           0        5.859807   -2.805689   -0.506538
     43          6           0        6.698899   -2.756406    1.757619
     44          6           0        3.708714   -1.700565   -1.129150
     45          6           0        5.446794   -1.627165    3.595884
     46          6           0        6.834390   -3.147449    0.428143
     47          1           0       -3.550445    2.422453   -0.601684
     48          1           0       -4.615902   -1.757621   -0.756747
     49          1           0       -1.490815    2.132221   -1.725745
     50          1           0       -1.187096    3.174598   -0.269778
     51          1           0       -0.473803    0.850160    0.890073
     52          1           0       -3.315183   -1.984537   -3.562284
     53          1           0        1.012828    2.862677    0.380245
     54          1           0       -3.568227   -0.095239    0.541582
     55          1           0       -2.186235    1.505787    2.045720
     56          1           0       -2.517514    3.211984    1.540431
     57          1           0       -1.774047   -3.825396   -2.292708
     58          1           0       -1.329527   -2.050977   -2.337352
     59          1           0        0.459628   -3.733343   -1.474979
     60          1           0        0.169098   -2.233687   -0.497016
     61          1           0        1.407045    1.388808   -2.336279
     62          1           0        0.531299    2.950509   -2.060039
     63          1           0       -6.161511   -1.240369   -2.579966
     64          1           0       -5.632714   -1.422613   -4.303352
     65          1           0       -4.926215   -0.105373   -3.279626
     66          1           0       -5.440888   -3.710117   -2.099954
     67          1           0       -3.846230   -4.261226   -2.758730
     68          1           0       -5.155514   -3.734074   -3.890066
     69          1           0        0.290118   -4.115279    1.062774
     70          1           0       -0.818236   -5.130166    0.031818
     71          1           0        2.245603    0.195283   -0.092508
     72          1           0       -1.681635   -3.561731    2.112071
     73          1           0       -0.514343    0.206025   -1.835818
     74          1           0       -4.784019    4.083920    1.448041
     75          1           0       -4.041456   -0.010083    2.656990
     76          1           0        1.861470    4.872740   -0.935401
     77          1           0        3.722170    1.427004   -2.768562
     78          1           0        3.501642    0.233905    3.244451
     79          1           0        4.688115    0.702496    1.918910
     80          1           0       -7.089192    3.935448    2.376645
     81          1           0       -6.341023   -0.147328    3.579933
     82          1           0       -7.873135    1.820852    3.446988
     83          1           0        3.978807    6.156933   -1.204723
     84          1           0        5.835186    2.714586   -3.040367
     85          1           0        5.968995    5.081561   -2.259956
     86          1           0        5.967215   -3.127135   -1.553637
     87          1           0        7.466285   -3.039539    2.494042
     88          1           0        3.803623   -2.333149   -2.045854
     89          1           0        3.818580   -0.627555   -1.431896
     90          1           0        2.683601   -1.846785   -0.702746
     91          1           0        6.102692   -2.254399    4.248348
     92          1           0        4.386452   -1.755935    3.929618
     93          1           0        5.733134   -0.554363    3.738884
     94          1           0        7.711977   -3.732663    0.115565
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0834142      0.0419149      0.0367472
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.6368154328 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893308122     A.U. after   10 cycles
             Convg  =    0.5268D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000024544   -0.000042485   -0.000006318
      2        8           0.000000549    0.000003987    0.000000525
      3        8          -0.000023774    0.000013228   -0.000010504
      4        8           0.000000190   -0.000007037   -0.000002982
      5        8           0.000012538    0.000015591   -0.000007078
      6        7          -0.000059219   -0.000038504    0.000019154
      7        7           0.000007156   -0.000039106    0.000017253
      8        7          -0.000043051   -0.000039765    0.000010435
      9        7          -0.000066640    0.000017518    0.000016524
     10        6          -0.000008553    0.000008614    0.000000536
     11        6           0.000028625    0.000019591    0.000017222
     12        6           0.000005829   -0.000034635    0.000003509
     13        6          -0.000000983    0.000010055    0.000021216
     14        6           0.000008032    0.000014381    0.000006152
     15        6           0.000011475    0.000036017   -0.000006250
     16        6           0.000006166   -0.000012005   -0.000029755
     17        6          -0.000007811    0.000011038    0.000025406
     18        6          -0.000000864   -0.000001398   -0.000001988
     19        6          -0.000003602   -0.000011734    0.000003304
     20        6          -0.000005600    0.000009571    0.000006595
     21        6           0.000085906    0.000022117   -0.000012351
     22        6           0.000004505    0.000002299   -0.000003107
     23        6          -0.000008435   -0.000023512   -0.000025104
     24        6           0.000035116   -0.000002599    0.000001717
     25        6          -0.000015826    0.000005882    0.000006942
     26        6           0.000009281    0.000001276    0.000009422
     27        6          -0.000007720    0.000017466    0.000000377
     28        6          -0.000010134    0.000001118   -0.000002603
     29        6           0.000009553   -0.000003153   -0.000002234
     30        6          -0.000006531    0.000000453   -0.000002950
     31        6           0.000004936   -0.000006100   -0.000004267
     32        6           0.000000343    0.000005907   -0.000004431
     33        6           0.000001996   -0.000009840    0.000003175
     34        6          -0.000014676    0.000005334   -0.000006019
     35        6           0.000012538    0.000001975    0.000005860
     36        6           0.000003302   -0.000003628    0.000000420
     37        6          -0.000000722    0.000003359    0.000003453
     38        6          -0.000003873    0.000001998   -0.000003175
     39        6          -0.000024258   -0.000014230    0.000029519
     40        6          -0.000006866    0.000003231   -0.000026129
     41        6           0.000013072    0.000003165    0.000008032
     42        6           0.000022842   -0.000002129   -0.000001700
     43        6          -0.000002371    0.000017135   -0.000026856
     44        6           0.000005511    0.000002972    0.000012546
     45        6          -0.000004849   -0.000000914   -0.000007930
     46        6          -0.000012568   -0.000011907    0.000030755
     47        1          -0.000003503    0.000008290   -0.000009514
     48        1          -0.000008414    0.000000819   -0.000004730
     49        1           0.000002038   -0.000004238   -0.000014463
     50        1           0.000008974   -0.000003934    0.000000410
     51        1           0.000001296   -0.000001998   -0.000006387
     52        1          -0.000001952    0.000004315   -0.000003729
     53        1           0.000005730   -0.000001150    0.000008946
     54        1          -0.000001452    0.000034247   -0.000008138
     55        1          -0.000003499    0.000000497   -0.000003251
     56        1           0.000010428    0.000010531    0.000001696
     57        1           0.000004760    0.000001487    0.000003404
     58        1           0.000006836    0.000005374   -0.000003649
     59        1          -0.000001012    0.000000070   -0.000001652
     60        1           0.000001624    0.000002629   -0.000000548
     61        1           0.000000487    0.000005530   -0.000005150
     62        1           0.000002612   -0.000000059   -0.000006944
     63        1           0.000001362   -0.000000359    0.000001237
     64        1           0.000000987    0.000002718   -0.000000623
     65        1           0.000004327   -0.000000543    0.000001178
     66        1           0.000000518    0.000000548   -0.000002189
     67        1          -0.000001378    0.000003375    0.000001749
     68        1           0.000001376   -0.000002414    0.000004260
     69        1          -0.000005489   -0.000001854    0.000003115
     70        1          -0.000007569   -0.000004139   -0.000005364
     71        1           0.000003055    0.000002119    0.000001994
     72        1           0.000010490   -0.000013570   -0.000008154
     73        1           0.000031304    0.000016074   -0.000011282
     74        1           0.000004858   -0.000000190    0.000002702
     75        1           0.000001462   -0.000004520    0.000007732
     76        1           0.000001354   -0.000000385    0.000000025
     77        1          -0.000004284   -0.000000088    0.000000055
     78        1           0.000002594   -0.000001197    0.000000948
     79        1           0.000002225   -0.000004072    0.000003294
     80        1           0.000001275    0.000002695   -0.000001657
     81        1           0.000001354   -0.000002378    0.000000104
     82        1          -0.000001983   -0.000001061   -0.000000971
     83        1          -0.000000647    0.000000507    0.000001154
     84        1           0.000000752   -0.000000260   -0.000002500
     85        1           0.000000662   -0.000000182    0.000001078
     86        1          -0.000004893    0.000000860    0.000002190
     87        1           0.000002164   -0.000004012    0.000003789
     88        1          -0.000000651    0.000000459   -0.000005402
     89        1          -0.000003995   -0.000000957   -0.000008996
     90        1           0.000005598   -0.000003674    0.000003067
     91        1           0.000000682   -0.000001872   -0.000003636
     92        1           0.000000030    0.000000233    0.000001558
     93        1          -0.000001937    0.000001366    0.000002028
     94        1           0.000003456    0.000003765   -0.000005102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000085906 RMS     0.000013360

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000046145 RMS     0.000008321
 Search for a local minimum.
 Step number  41 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41
 DE= -3.17D-07 DEPred=-2.18D-07 R= 1.46D+00
 Trust test= 1.46D+00 RLast= 1.52D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00061   0.00183   0.00186   0.00222   0.00232
     Eigenvalues ---    0.00238   0.00273   0.00313   0.00324   0.00402
     Eigenvalues ---    0.00423   0.00488   0.00512   0.00545   0.00569
     Eigenvalues ---    0.00622   0.00649   0.00750   0.00810   0.00984
     Eigenvalues ---    0.01223   0.01349   0.01404   0.01434   0.01452
     Eigenvalues ---    0.01491   0.01514   0.01606   0.01735   0.01926
     Eigenvalues ---    0.01955   0.02057   0.02096   0.02116   0.02128
     Eigenvalues ---    0.02148   0.02151   0.02157   0.02157   0.02161
     Eigenvalues ---    0.02170   0.02172   0.02174   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02189   0.02198   0.02271   0.02317   0.02517
     Eigenvalues ---    0.03102   0.03139   0.03389   0.03485   0.03796
     Eigenvalues ---    0.03854   0.04007   0.04045   0.04281   0.04316
     Eigenvalues ---    0.04390   0.04457   0.04618   0.04703   0.04868
     Eigenvalues ---    0.04886   0.05024   0.05052   0.05079   0.05262
     Eigenvalues ---    0.05343   0.05407   0.05439   0.05507   0.05576
     Eigenvalues ---    0.05605   0.05640   0.05663   0.05701   0.05920
     Eigenvalues ---    0.06061   0.06476   0.06865   0.07013   0.07117
     Eigenvalues ---    0.07186   0.07264   0.07373   0.07531   0.07576
     Eigenvalues ---    0.07895   0.08077   0.08323   0.08782   0.09238
     Eigenvalues ---    0.09402   0.09507   0.09766   0.11071   0.11623
     Eigenvalues ---    0.12171   0.12596   0.12891   0.12971   0.14092
     Eigenvalues ---    0.14528   0.15364   0.15751   0.15904   0.15973
     Eigenvalues ---    0.15983   0.15997   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16008   0.16014   0.16018   0.16022   0.16045
     Eigenvalues ---    0.16090   0.16196   0.16236   0.16669   0.16814
     Eigenvalues ---    0.17553   0.17812   0.19165   0.19329   0.19722
     Eigenvalues ---    0.20264   0.20586   0.21114   0.21485   0.21961
     Eigenvalues ---    0.21998   0.22000   0.22001   0.22012   0.22081
     Eigenvalues ---    0.22411   0.22718   0.23184   0.23402   0.23438
     Eigenvalues ---    0.23466   0.23546   0.23726   0.24148   0.24702
     Eigenvalues ---    0.24745   0.24887   0.24961   0.25008   0.25208
     Eigenvalues ---    0.25292   0.25931   0.26449   0.26696   0.27191
     Eigenvalues ---    0.27869   0.28026   0.28219   0.28417   0.28761
     Eigenvalues ---    0.29186   0.29390   0.29963   0.30010   0.30442
     Eigenvalues ---    0.30851   0.31235   0.31844   0.32286   0.32777
     Eigenvalues ---    0.33568   0.34154   0.34443   0.34468   0.34531
     Eigenvalues ---    0.34604   0.34634   0.34642   0.34687   0.34701
     Eigenvalues ---    0.34708   0.34722   0.34730   0.34740   0.34747
     Eigenvalues ---    0.34756   0.34765   0.34773   0.34780   0.34792
     Eigenvalues ---    0.34803   0.34818   0.34819   0.34827   0.34838
     Eigenvalues ---    0.34851   0.34880   0.34927   0.34999   0.35079
     Eigenvalues ---    0.35471   0.35667   0.35886   0.35908   0.35928
     Eigenvalues ---    0.35942   0.35969   0.35982   0.35994   0.35998
     Eigenvalues ---    0.36012   0.36029   0.36035   0.36054   0.36112
     Eigenvalues ---    0.36396   0.38640   0.38701   0.39334   0.40978
     Eigenvalues ---    0.41624   0.42257   0.42302   0.42373   0.43224
     Eigenvalues ---    0.43626   0.44514   0.45447   0.45737   0.46020
     Eigenvalues ---    0.46136   0.46140   0.46283   0.46346   0.46489
     Eigenvalues ---    0.46615   0.46766   0.46786   0.46879   0.46932
     Eigenvalues ---    0.47159   0.47889   0.49854   0.51008   0.52077
     Eigenvalues ---    0.52438   0.55460   0.57855   0.59119   0.61010
     Eigenvalues ---    0.65832   0.77442   0.89421   0.91360   0.92944
     Eigenvalues ---    0.959561000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    41   40   39   38   37
 RFO step:  Lambda=-6.77907358D-08.
 DIIS coeffs:      1.46849     -0.24142     -0.41943      0.13402      0.05835
 Iteration  1 RMS(Cart)=  0.00381097 RMS(Int)=  0.00000183
 Iteration  2 RMS(Cart)=  0.00000729 RMS(Int)=  0.00000006
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000006
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68037  -0.00002  -0.00003   0.00002  -0.00001   2.68036
    R2        1.83002  -0.00003  -0.00001  -0.00003  -0.00004   1.82998
    R3        2.36388   0.00000  -0.00001  -0.00001  -0.00002   2.36386
    R4        2.38340   0.00003   0.00003   0.00000   0.00003   2.38344
    R5        2.35979   0.00000  -0.00002  -0.00001  -0.00003   2.35976
    R6        2.70556   0.00001   0.00006  -0.00002   0.00004   2.70560
    R7        2.63199   0.00000   0.00002  -0.00003  -0.00001   2.63198
    R8        2.74054  -0.00002  -0.00004  -0.00007  -0.00011   2.74043
    R9        2.73794   0.00001   0.00000  -0.00001  -0.00001   2.73793
   R10        2.66795   0.00004   0.00000  -0.00001  -0.00001   2.66794
   R11        2.72932   0.00004   0.00000   0.00006   0.00006   2.72938
   R12        2.58725   0.00002   0.00000   0.00003   0.00003   2.58728
   R13        1.89032   0.00003  -0.00001   0.00004   0.00003   1.89035
   R14        2.73108  -0.00004   0.00001  -0.00006  -0.00005   2.73103
   R15        2.59821   0.00000   0.00003   0.00004   0.00007   2.59828
   R16        1.88303   0.00000   0.00001   0.00001   0.00002   1.88305
   R17        2.64004  -0.00004  -0.00003  -0.00005  -0.00007   2.63997
   R18        2.71744   0.00002  -0.00004   0.00005   0.00002   2.71746
   R19        1.87831   0.00001  -0.00003   0.00001  -0.00002   1.87829
   R20        2.90692   0.00003   0.00003   0.00001   0.00005   2.90696
   R21        2.91747   0.00002   0.00000   0.00004   0.00004   2.91751
   R22        2.14668   0.00000   0.00002   0.00000   0.00002   2.14670
   R23        2.91733  -0.00002  -0.00002   0.00003   0.00002   2.91735
   R24        2.94436   0.00001  -0.00004   0.00003  -0.00001   2.94435
   R25        2.14528   0.00001   0.00002   0.00001   0.00003   2.14531
   R26        2.87463  -0.00001  -0.00001  -0.00007  -0.00008   2.87455
   R27        2.12584  -0.00001   0.00001  -0.00003  -0.00002   2.12582
   R28        2.11892   0.00000   0.00000   0.00000   0.00000   2.11892
   R29        2.94818  -0.00004  -0.00003   0.00002  -0.00001   2.94817
   R30        2.13354   0.00000  -0.00002   0.00003   0.00002   2.13356
   R31        2.86691  -0.00001   0.00000  -0.00001  -0.00001   2.86689
   R32        2.86175  -0.00003  -0.00002  -0.00004  -0.00006   2.86170
   R33        2.12800  -0.00001   0.00000   0.00000   0.00000   2.12800
   R34        2.91097  -0.00001   0.00002  -0.00003  -0.00002   2.91095
   R35        2.13891  -0.00001   0.00000  -0.00002  -0.00001   2.13889
   R36        2.81144   0.00000   0.00000   0.00000   0.00000   2.81143
   R37        2.12153   0.00000   0.00001  -0.00001   0.00000   2.12153
   R38        2.12175  -0.00001   0.00002  -0.00002   0.00000   2.12175
   R39        2.88454   0.00000  -0.00002   0.00001  -0.00001   2.88453
   R40        2.13287   0.00000   0.00000   0.00001   0.00001   2.13288
   R41        2.13724  -0.00001  -0.00001  -0.00002  -0.00003   2.13721
   R42        2.88365   0.00000  -0.00002   0.00004   0.00002   2.88367
   R43        2.11485   0.00000  -0.00001   0.00000  -0.00001   2.11484
   R44        2.12325   0.00000   0.00001   0.00000   0.00001   2.12325
   R45        2.80932   0.00000   0.00001  -0.00002  -0.00001   2.80930
   R46        2.12201   0.00000   0.00000  -0.00002  -0.00001   2.12199
   R47        2.12311   0.00000   0.00000  -0.00001  -0.00001   2.12310
   R48        2.11006   0.00000   0.00000   0.00000   0.00000   2.11007
   R49        2.11046   0.00000   0.00001  -0.00001   0.00000   2.11046
   R50        2.11114   0.00000   0.00000   0.00000   0.00000   2.11114
   R51        2.11037   0.00000   0.00000   0.00000   0.00001   2.11037
   R52        2.10890   0.00000   0.00000   0.00000   0.00000   2.10891
   R53        2.11166   0.00000   0.00001   0.00001   0.00001   2.11168
   R54        2.12933  -0.00001   0.00001   0.00000   0.00001   2.12933
   R55        2.13429  -0.00001   0.00000  -0.00001  -0.00001   2.13428
   R56        2.64623   0.00000   0.00000   0.00000   0.00001   2.64624
   R57        2.64642   0.00000   0.00000  -0.00001  -0.00001   2.64640
   R58        2.64659   0.00000   0.00000   0.00000   0.00000   2.64659
   R59        2.64471   0.00000   0.00001  -0.00001   0.00000   2.64471
   R60        2.88852   0.00001   0.00001   0.00003   0.00003   2.88856
   R61        2.63333  -0.00001   0.00000  -0.00001  -0.00001   2.63331
   R62        2.07898   0.00000   0.00000   0.00000   0.00000   2.07898
   R63        2.63514   0.00000   0.00000   0.00001   0.00001   2.63515
   R64        2.08478   0.00000   0.00001   0.00001   0.00001   2.08480
   R65        2.63300   0.00000   0.00001   0.00000   0.00001   2.63301
   R66        2.07906   0.00000   0.00000   0.00000   0.00000   2.07906
   R67        2.63466   0.00000  -0.00001  -0.00001  -0.00001   2.63465
   R68        2.07933   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12345   0.00000  -0.00001  -0.00001  -0.00002   2.12342
   R70        2.11683   0.00000   0.00001  -0.00001   0.00000   2.11683
   R71        2.63582   0.00000   0.00000   0.00000   0.00000   2.63583
   R72        2.07826   0.00000   0.00000   0.00000   0.00000   2.07826
   R73        2.63523  -0.00001   0.00000  -0.00001  -0.00001   2.63522
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63636   0.00000  -0.00001   0.00000  -0.00001   2.63635
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63492   0.00000   0.00000   0.00001   0.00001   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66140  -0.00002   0.00000  -0.00006  -0.00006   2.66135
   R82        2.65835   0.00001   0.00000   0.00000   0.00000   2.65835
   R83        2.64278   0.00001   0.00001   0.00000   0.00002   2.64279
   R84        2.79767  -0.00001  -0.00001  -0.00001  -0.00002   2.79765
   R85        2.64430  -0.00001   0.00001  -0.00004  -0.00003   2.64426
   R86        2.79802   0.00001  -0.00002   0.00001  -0.00001   2.79801
   R87        2.63225  -0.00001   0.00002  -0.00004  -0.00003   2.63222
   R88        2.07980   0.00000   0.00000   0.00000   0.00000   2.07980
   R89        2.63125   0.00002   0.00002   0.00002   0.00004   2.63129
   R90        2.07987   0.00000   0.00001   0.00000   0.00000   2.07987
   R91        2.11237  -0.00001   0.00000  -0.00002  -0.00002   2.11235
   R92        2.11706   0.00001   0.00000   0.00001   0.00001   2.11708
   R93        2.11620  -0.00001   0.00001   0.00001   0.00002   2.11622
   R94        2.11222   0.00000   0.00000  -0.00001  -0.00001   2.11221
   R95        2.11471   0.00000   0.00001   0.00000   0.00001   2.11472
   R96        2.11560   0.00000   0.00001   0.00000   0.00001   2.11561
   R97        2.07899   0.00000   0.00001   0.00000   0.00000   2.07899
    A1        1.88834   0.00003   0.00005   0.00012   0.00016   1.88850
    A2        1.99633  -0.00002  -0.00006  -0.00011  -0.00017   1.99616
    A3        2.05717   0.00000   0.00003   0.00009   0.00012   2.05729
    A4        2.04941   0.00001   0.00001   0.00004   0.00005   2.04946
    A5        2.08995  -0.00001  -0.00008   0.00001  -0.00007   2.08988
    A6        2.18269   0.00005   0.00001   0.00012   0.00013   2.18282
    A7        2.03630  -0.00002  -0.00001  -0.00006  -0.00007   2.03623
    A8        2.06412  -0.00002  -0.00001  -0.00006  -0.00007   2.06405
    A9        2.13764  -0.00002  -0.00004  -0.00011  -0.00015   2.13749
   A10        2.02504   0.00001  -0.00002  -0.00008  -0.00010   2.02494
   A11        2.06273   0.00001  -0.00003  -0.00010  -0.00013   2.06259
   A12        2.10806   0.00001   0.00004   0.00002   0.00006   2.10812
   A13        2.01416   0.00000  -0.00002  -0.00001  -0.00003   2.01413
   A14        2.06656  -0.00002  -0.00001  -0.00009  -0.00010   2.06646
   A15        2.00615   0.00002  -0.00003   0.00000  -0.00002   2.00613
   A16        1.94501  -0.00001   0.00000  -0.00001  -0.00001   1.94500
   A17        1.87341   0.00000   0.00004   0.00004   0.00008   1.87349
   A18        1.91042  -0.00001   0.00000   0.00001   0.00001   1.91042
   A19        1.84767   0.00000   0.00000   0.00001   0.00002   1.84768
   A20        1.87371   0.00000  -0.00001  -0.00006  -0.00006   1.87364
   A21        1.99285   0.00000  -0.00002   0.00004   0.00003   1.99288
   A22        1.92590   0.00000   0.00004  -0.00005  -0.00001   1.92590
   A23        1.86873   0.00001  -0.00002   0.00003   0.00001   1.86874
   A24        1.90766   0.00000  -0.00001   0.00005   0.00003   1.90769
   A25        1.86691   0.00000   0.00002  -0.00001   0.00001   1.86692
   A26        1.89859   0.00000  -0.00001  -0.00006  -0.00008   1.89851
   A27        2.00043  -0.00001   0.00000  -0.00009  -0.00009   2.00034
   A28        1.88393   0.00001   0.00003   0.00003   0.00006   1.88400
   A29        1.87797   0.00001  -0.00002   0.00006   0.00004   1.87801
   A30        1.90698   0.00000   0.00002   0.00002   0.00003   1.90701
   A31        1.90769  -0.00001   0.00000  -0.00003  -0.00003   1.90766
   A32        1.88341   0.00000  -0.00003   0.00001  -0.00002   1.88339
   A33        1.97265   0.00003   0.00009   0.00000   0.00009   1.97274
   A34        1.91188  -0.00002  -0.00013   0.00004  -0.00010   1.91178
   A35        1.81879   0.00000  -0.00001   0.00007   0.00006   1.81885
   A36        1.93746  -0.00002   0.00003  -0.00005  -0.00002   1.93745
   A37        1.92128   0.00000   0.00003  -0.00005  -0.00002   1.92126
   A38        1.89711   0.00001  -0.00001  -0.00002  -0.00002   1.89708
   A39        1.90532   0.00000  -0.00002  -0.00002  -0.00004   1.90528
   A40        1.94282   0.00000   0.00000   0.00004   0.00003   1.94286
   A41        1.89455   0.00000  -0.00002   0.00001  -0.00001   1.89454
   A42        1.91280   0.00000   0.00003  -0.00005  -0.00002   1.91278
   A43        1.89525   0.00000   0.00001   0.00000   0.00001   1.89527
   A44        1.91239   0.00000   0.00000   0.00003   0.00003   1.91242
   A45        1.94147  -0.00001  -0.00002  -0.00003  -0.00005   1.94142
   A46        1.95071   0.00001   0.00006  -0.00005   0.00001   1.95072
   A47        1.88310   0.00000   0.00004   0.00000   0.00004   1.88314
   A48        1.91103  -0.00001  -0.00003   0.00000  -0.00003   1.91100
   A49        1.88189   0.00001  -0.00003   0.00008   0.00006   1.88195
   A50        1.89354   0.00000  -0.00003   0.00000  -0.00003   1.89351
   A51        1.96015  -0.00003   0.00003  -0.00011  -0.00007   1.96008
   A52        1.91893   0.00001   0.00000   0.00004   0.00004   1.91897
   A53        1.87712   0.00002  -0.00002   0.00007   0.00005   1.87716
   A54        1.91758   0.00001   0.00001   0.00000   0.00001   1.91759
   A55        1.91272   0.00001  -0.00003   0.00003  -0.00001   1.91271
   A56        1.87501  -0.00001   0.00000  -0.00003  -0.00002   1.87499
   A57        2.14980   0.00000  -0.00001  -0.00001  -0.00003   2.14978
   A58        2.12118   0.00000   0.00004   0.00005   0.00009   2.12127
   A59        2.01158   0.00000  -0.00002  -0.00005  -0.00007   2.01151
   A60        2.00087   0.00001  -0.00005  -0.00001  -0.00006   2.00081
   A61        1.87289   0.00000  -0.00001   0.00004   0.00003   1.87292
   A62        1.90239   0.00000   0.00001  -0.00003  -0.00001   1.90237
   A63        1.90647   0.00000  -0.00001  -0.00001  -0.00002   1.90644
   A64        1.89088  -0.00001   0.00001  -0.00002  -0.00001   1.89087
   A65        1.88752   0.00000   0.00005   0.00004   0.00009   1.88761
   A66        1.93929   0.00000  -0.00003  -0.00001  -0.00004   1.93925
   A67        1.89999   0.00000   0.00002   0.00001   0.00003   1.90002
   A68        1.91147   0.00000   0.00002   0.00000   0.00002   1.91150
   A69        1.90534   0.00000   0.00001   0.00002   0.00003   1.90537
   A70        1.92271   0.00000  -0.00001  -0.00001  -0.00002   1.92269
   A71        1.88403   0.00000  -0.00001  -0.00001  -0.00002   1.88400
   A72        1.96936   0.00000  -0.00005  -0.00003  -0.00008   1.96928
   A73        1.90872  -0.00001   0.00001  -0.00002   0.00000   1.90871
   A74        1.87771   0.00000  -0.00003  -0.00001  -0.00004   1.87767
   A75        1.92411   0.00000   0.00001  -0.00002   0.00000   1.92410
   A76        1.90479   0.00000   0.00006   0.00003   0.00009   1.90488
   A77        1.87631   0.00000  -0.00001   0.00005   0.00004   1.87636
   A78        2.11665  -0.00001   0.00000  -0.00008  -0.00008   2.11657
   A79        2.08064   0.00001  -0.00002   0.00006   0.00004   2.08068
   A80        2.08323   0.00000   0.00001   0.00003   0.00004   2.08327
   A81        1.93345   0.00000   0.00000   0.00000   0.00000   1.93345
   A82        1.91410   0.00000   0.00001  -0.00001   0.00000   1.91411
   A83        1.93015  -0.00001  -0.00002   0.00000  -0.00002   1.93013
   A84        1.89261   0.00000   0.00000  -0.00002  -0.00001   1.89260
   A85        1.90097   0.00000   0.00000   0.00002   0.00002   1.90099
   A86        1.89165   0.00000   0.00000   0.00001   0.00001   1.89166
   A87        1.93025   0.00000   0.00000  -0.00001  -0.00001   1.93024
   A88        1.94284   0.00001  -0.00003   0.00007   0.00004   1.94288
   A89        1.91587   0.00000   0.00001  -0.00002  -0.00001   1.91586
   A90        1.89249   0.00000   0.00001  -0.00001   0.00000   1.89249
   A91        1.89315   0.00000   0.00001   0.00000   0.00001   1.89316
   A92        1.88800   0.00000   0.00001  -0.00004  -0.00003   1.88797
   A93        1.97432   0.00000  -0.00001   0.00001   0.00000   1.97431
   A94        1.90981   0.00000   0.00002   0.00000   0.00003   1.90984
   A95        1.88463   0.00000   0.00002  -0.00002   0.00001   1.88463
   A96        1.90910   0.00000  -0.00003  -0.00002  -0.00005   1.90905
   A97        1.90296   0.00000   0.00000   0.00001   0.00002   1.90298
   A98        1.88065   0.00000  -0.00001   0.00002   0.00001   1.88065
   A99        2.09421   0.00000  -0.00002   0.00000  -0.00002   2.09419
   A100       2.10630  -0.00001   0.00003  -0.00001   0.00002   2.10632
   A101       2.08261   0.00001  -0.00001   0.00002   0.00001   2.08262
   A102       2.09859  -0.00001  -0.00002  -0.00003  -0.00005   2.09854
   A103       2.10298   0.00001   0.00002   0.00003   0.00005   2.10303
   A104       2.08153   0.00000   0.00000   0.00001   0.00000   2.08153
   A105       2.14026  -0.00001   0.00004   0.00001   0.00004   2.14030
   A106       2.06712  -0.00001   0.00009   0.00004   0.00013   2.06725
   A107       2.07402   0.00002  -0.00013  -0.00005  -0.00018   2.07384
   A108       2.10063   0.00000   0.00001  -0.00001   0.00000   2.10062
   A109       2.08998   0.00000   0.00001  -0.00001  -0.00001   2.08997
   A110       2.09258   0.00001  -0.00001   0.00002   0.00001   2.09259
   A111       2.09722  -0.00001   0.00001  -0.00001   0.00000   2.09721
   A112       2.10071   0.00000   0.00002   0.00000   0.00002   2.10073
   A113       2.08525   0.00001  -0.00002   0.00001  -0.00002   2.08523
   A114       2.10006   0.00000   0.00000   0.00000   0.00000   2.10005
   A115       2.08875   0.00000   0.00000   0.00000   0.00000   2.08875
   A116       2.09436   0.00000   0.00000   0.00000   0.00000   2.09437
   A117       2.09992   0.00000   0.00000   0.00000   0.00000   2.09992
   A118       2.09142   0.00000  -0.00002  -0.00002  -0.00005   2.09137
   A119       2.09184   0.00000   0.00002   0.00002   0.00005   2.09189
   A120       1.93340   0.00002  -0.00028  -0.00013  -0.00042   1.93299
   A121       1.87156  -0.00001   0.00017   0.00004   0.00022   1.87177
   A122       1.95691  -0.00001  -0.00003  -0.00007  -0.00010   1.95681
   A123       1.88414   0.00000   0.00006   0.00007   0.00012   1.88426
   A124       1.89427   0.00000   0.00007   0.00008   0.00015   1.89442
   A125       1.92235   0.00000   0.00001   0.00002   0.00003   1.92238
   A126       2.09597   0.00000   0.00000   0.00000   0.00000   2.09597
   A127       2.09218   0.00000  -0.00001   0.00001   0.00001   2.09218
   A128       2.09504   0.00000   0.00001  -0.00001  -0.00001   2.09503
   A129       2.09868   0.00000   0.00000   0.00000   0.00000   2.09868
   A130       2.08839   0.00000   0.00000  -0.00001  -0.00002   2.08838
   A131       2.09611   0.00000   0.00000   0.00001   0.00001   2.09613
   A132       2.09126   0.00000  -0.00001   0.00001   0.00000   2.09126
   A133       2.09570   0.00000   0.00001  -0.00002  -0.00001   2.09570
   A134       2.09622   0.00000   0.00000   0.00001   0.00001   2.09623
   A135       2.09675   0.00000   0.00000   0.00000   0.00000   2.09674
   A136       2.09189   0.00000   0.00000   0.00000   0.00000   2.09189
   A137       2.09455   0.00000   0.00000   0.00001   0.00000   2.09455
   A138       2.09689   0.00000   0.00000   0.00000   0.00000   2.09689
   A139       2.09175   0.00000   0.00000   0.00001   0.00001   2.09177
   A140       2.09455   0.00000   0.00000  -0.00001  -0.00001   2.09453
   A141       2.09122   0.00000   0.00000   0.00000   0.00000   2.09123
   A142       2.09568   0.00000   0.00000   0.00001   0.00000   2.09568
   A143       2.09628   0.00000   0.00000  -0.00001  -0.00001   2.09627
   A144       2.04716   0.00003   0.00002   0.00007   0.00008   2.04724
   A145       2.11396  -0.00003  -0.00003  -0.00009  -0.00012   2.11384
   A146       2.11787   0.00000   0.00001   0.00002   0.00003   2.11790
   A147       2.06845   0.00000   0.00000   0.00000   0.00000   2.06845
   A148       2.11524   0.00000  -0.00006  -0.00003  -0.00009   2.11516
   A149       2.09946   0.00000   0.00005   0.00003   0.00009   2.09955
   A150       2.06870   0.00000   0.00000  -0.00001  -0.00001   2.06869
   A151       2.12007  -0.00001  -0.00005  -0.00006  -0.00011   2.11996
   A152       2.09438   0.00001   0.00005   0.00007   0.00012   2.09450
   A153       2.10625   0.00000  -0.00001  -0.00001  -0.00002   2.10623
   A154       2.08430  -0.00001   0.00001  -0.00002  -0.00002   2.08428
   A155       2.09263   0.00000   0.00001   0.00003   0.00004   2.09267
   A156       2.10618   0.00000   0.00000  -0.00001  -0.00002   2.10617
   A157       2.08401   0.00001   0.00001   0.00004   0.00005   2.08406
   A158       2.09297   0.00000   0.00000  -0.00003  -0.00003   2.09294
   A159       1.93816   0.00000   0.00004   0.00003   0.00007   1.93823
   A160       1.92054   0.00000   0.00000  -0.00001  -0.00001   1.92052
   A161       1.92927   0.00000  -0.00003  -0.00003  -0.00006   1.92921
   A162       1.88818   0.00000   0.00002   0.00002   0.00004   1.88822
   A163       1.89241   0.00000   0.00001   0.00002   0.00004   1.89244
   A164       1.89413   0.00000  -0.00004  -0.00003  -0.00007   1.89406
   A165       1.93761   0.00000   0.00003   0.00004   0.00007   1.93768
   A166       1.92633   0.00000  -0.00001  -0.00001  -0.00002   1.92631
   A167       1.92497   0.00000  -0.00006  -0.00004  -0.00011   1.92486
   A168       1.89374   0.00000   0.00002   0.00002   0.00004   1.89378
   A169       1.88925   0.00000   0.00002   0.00000   0.00003   1.88927
   A170       1.89075   0.00000   0.00000  -0.00001  -0.00001   1.89074
   A171       2.09868   0.00000   0.00001   0.00001   0.00002   2.09870
   A172       2.09207   0.00001   0.00000   0.00004   0.00004   2.09210
   A173       2.09243  -0.00001  -0.00001  -0.00005  -0.00006   2.09237
    D1        0.60350  -0.00001  -0.00115   0.00074  -0.00042   0.60309
    D2       -1.56675   0.00000  -0.00116   0.00076  -0.00039  -1.56714
    D3        2.68920   0.00001  -0.00108   0.00073  -0.00035   2.68884
    D4        2.39826   0.00001   0.00180   0.00102   0.00282   2.40108
    D5       -1.83293   0.00001   0.00182   0.00105   0.00286  -1.83007
    D6        0.27920   0.00000   0.00193   0.00106   0.00298   0.28219
    D7       -2.12317   0.00000   0.00090   0.00073   0.00163  -2.12154
    D8        1.11551   0.00000   0.00090   0.00076   0.00166   1.11717
    D9        0.92457   0.00001   0.00004   0.00021   0.00026   0.92483
   D10       -1.23211   0.00001   0.00004   0.00016   0.00020  -1.23192
   D11        2.98750   0.00001   0.00005   0.00024   0.00029   2.98779
   D12       -2.65262   0.00001  -0.00008   0.00054   0.00046  -2.65217
   D13        1.47388   0.00001  -0.00009   0.00048   0.00040   1.47427
   D14       -0.58970   0.00001  -0.00008   0.00057   0.00049  -0.58921
   D15        2.58912   0.00000  -0.00084  -0.00001  -0.00084   2.58828
   D16       -1.57344   0.00000  -0.00089   0.00000  -0.00089  -1.57433
   D17        0.46672   0.00000  -0.00082   0.00005  -0.00077   0.46595
   D18       -0.10645  -0.00001  -0.00073  -0.00035  -0.00108  -0.10753
   D19        2.01418   0.00000  -0.00078  -0.00034  -0.00112   2.01305
   D20       -2.22885   0.00000  -0.00071  -0.00030  -0.00101  -2.22986
   D21        0.08460   0.00000   0.00036  -0.00032   0.00004   0.08464
   D22       -3.13605   0.00000   0.00031  -0.00013   0.00018  -3.13588
   D23        2.78211   0.00000   0.00026   0.00003   0.00029   2.78240
   D24       -0.43855   0.00000   0.00020   0.00022   0.00043  -0.43812
   D25       -0.85604  -0.00001  -0.00025   0.00003  -0.00022  -0.85627
   D26       -3.04235  -0.00001  -0.00023   0.00002  -0.00021  -3.04256
   D27        1.19390   0.00000  -0.00024   0.00007  -0.00017   1.19374
   D28        2.29845  -0.00001   0.00058   0.00055   0.00113   2.29958
   D29        0.11214   0.00000   0.00060   0.00054   0.00115   0.11329
   D30       -1.93478   0.00001   0.00059   0.00059   0.00118  -1.93360
   D31        0.09069   0.00000   0.00012   0.00013   0.00025   0.09094
   D32       -3.08835  -0.00001   0.00013  -0.00003   0.00010  -3.08824
   D33       -3.06400  -0.00001  -0.00073  -0.00040  -0.00112  -3.06512
   D34        0.04015  -0.00001  -0.00071  -0.00055  -0.00127   0.03888
   D35       -1.77723   0.00001  -0.00042   0.00054   0.00012  -1.77711
   D36        2.36389   0.00001  -0.00041   0.00060   0.00019   2.36408
   D37        0.28352   0.00001  -0.00044   0.00063   0.00019   0.28371
   D38        0.99872  -0.00001  -0.00069  -0.00039  -0.00108   0.99764
   D39       -1.14335   0.00000  -0.00068  -0.00033  -0.00101  -1.14436
   D40        3.05947   0.00000  -0.00071  -0.00030  -0.00101   3.05846
   D41       -0.15362  -0.00002   0.00012  -0.00082  -0.00070  -0.15432
   D42        3.05305  -0.00002   0.00033  -0.00079  -0.00046   3.05259
   D43       -2.92210   0.00000   0.00039   0.00012   0.00052  -2.92159
   D44        0.28457  -0.00001   0.00060   0.00016   0.00076   0.28533
   D45       -2.90452   0.00000   0.00052   0.00027   0.00079  -2.90373
   D46        0.31449   0.00000   0.00057   0.00008   0.00066   0.31515
   D47       -0.22331  -0.00001   0.00057   0.00005   0.00062  -0.22269
   D48        2.99570  -0.00001   0.00062  -0.00013   0.00049   2.99619
   D49        0.33746   0.00000  -0.00069  -0.00023  -0.00093   0.33654
   D50        2.47064   0.00000  -0.00072  -0.00025  -0.00097   2.46967
   D51       -1.77008   0.00000  -0.00071  -0.00024  -0.00095  -1.77103
   D52       -2.33034   0.00000  -0.00073  -0.00003  -0.00077  -2.33110
   D53       -0.19716   0.00000  -0.00077  -0.00005  -0.00082  -0.19797
   D54        1.84530   0.00000  -0.00075  -0.00004  -0.00079   1.84451
   D55       -0.90011   0.00000   0.00025   0.00013   0.00039  -0.89972
   D56        1.22901   0.00001   0.00030   0.00012   0.00041   1.22942
   D57       -3.02572   0.00001   0.00027   0.00018   0.00045  -3.02527
   D58        1.30411  -0.00001   0.00023   0.00013   0.00036   1.30446
   D59       -2.84996   0.00000   0.00027   0.00011   0.00039  -2.84958
   D60       -0.82151   0.00000   0.00024   0.00018   0.00042  -0.82109
   D61       -2.96457  -0.00001   0.00022   0.00008   0.00030  -2.96428
   D62       -0.83546   0.00000   0.00026   0.00006   0.00032  -0.83513
   D63        1.19300   0.00000   0.00024   0.00013   0.00036   1.19336
   D64       -1.07738   0.00001  -0.00027  -0.00032  -0.00059  -1.07797
   D65        1.06351   0.00000  -0.00023  -0.00036  -0.00059   1.06292
   D66        3.09995   0.00001  -0.00024  -0.00033  -0.00057   3.09939
   D67        2.96717  -0.00001  -0.00023  -0.00032  -0.00055   2.96662
   D68       -1.17512  -0.00001  -0.00019  -0.00036  -0.00056  -1.17567
   D69        0.86132   0.00000  -0.00020  -0.00033  -0.00053   0.86079
   D70        0.96936   0.00000  -0.00023  -0.00031  -0.00054   0.96882
   D71        3.11026  -0.00001  -0.00019  -0.00035  -0.00054   3.10972
   D72       -1.13649   0.00000  -0.00020  -0.00032  -0.00052  -1.13701
   D73        3.04777   0.00000  -0.00030  -0.00003  -0.00033   3.04744
   D74        0.93391   0.00000  -0.00032   0.00002  -0.00030   0.93361
   D75       -1.17234   0.00000  -0.00031  -0.00004  -0.00035  -1.17269
   D76       -1.06892   0.00000  -0.00027  -0.00002  -0.00029  -1.06922
   D77        3.10040   0.00000  -0.00029   0.00003  -0.00026   3.10014
   D78        0.99415   0.00000  -0.00028  -0.00003  -0.00031   0.99385
   D79        0.98381   0.00000  -0.00028  -0.00008  -0.00036   0.98344
   D80       -1.13005   0.00000  -0.00030  -0.00003  -0.00033  -1.13039
   D81        3.04688   0.00000  -0.00029  -0.00009  -0.00038   3.04650
   D82        1.71198  -0.00001   0.00061   0.00011   0.00072   1.71270
   D83       -1.39284   0.00000   0.00060   0.00027   0.00087  -1.39198
   D84       -0.49332   0.00000   0.00061   0.00006   0.00067  -0.49265
   D85        2.68504   0.00000   0.00060   0.00021   0.00081   2.68586
   D86       -2.52603   0.00000   0.00060   0.00008   0.00068  -2.52535
   D87        0.65233   0.00000   0.00059   0.00024   0.00083   0.65316
   D88        1.40536   0.00002   0.00051  -0.00008   0.00043   1.40579
   D89       -2.72161   0.00000   0.00042  -0.00007   0.00036  -2.72125
   D90       -0.62028   0.00000   0.00045  -0.00015   0.00030  -0.61998
   D91       -0.71116   0.00001   0.00046  -0.00008   0.00038  -0.71078
   D92        1.44505  -0.00001   0.00037  -0.00006   0.00031   1.44537
   D93       -2.73680  -0.00001   0.00040  -0.00014   0.00026  -2.73654
   D94       -2.76850   0.00001   0.00049  -0.00009   0.00040  -2.76810
   D95       -0.61229   0.00000   0.00040  -0.00007   0.00033  -0.61196
   D96        1.48904   0.00000   0.00043  -0.00015   0.00028   1.48932
   D97       -1.07065   0.00001   0.00018  -0.00010   0.00008  -1.07057
   D98        1.09409   0.00001   0.00022  -0.00018   0.00004   1.09413
   D99       -3.13212   0.00001   0.00016  -0.00014   0.00002  -3.13210
   D100       3.02191  -0.00001   0.00014  -0.00010   0.00004   3.02195
   D101      -1.09654  -0.00001   0.00018  -0.00018   0.00000  -1.09653
   D102       0.96043  -0.00001   0.00012  -0.00014  -0.00002   0.96041
   D103       0.90631   0.00000   0.00010   0.00000   0.00009   0.90641
   D104       3.07106   0.00000   0.00014  -0.00008   0.00005   3.07111
   D105      -1.15516   0.00000   0.00007  -0.00004   0.00003  -1.15513
   D106      -1.06356   0.00000  -0.00003   0.00027   0.00024  -1.06332
   D107       3.13111   0.00000  -0.00004   0.00029   0.00025   3.13137
   D108       1.04587   0.00000  -0.00004   0.00029   0.00025   1.04611
   D109       1.06848   0.00000  -0.00003   0.00027   0.00024   1.06872
   D110      -1.02003   0.00000  -0.00004   0.00029   0.00026  -1.01978
   D111      -3.10528   0.00000  -0.00004   0.00029   0.00025  -3.10503
   D112      -3.12620   0.00000   0.00000   0.00027   0.00027  -3.12593
   D113       1.06848   0.00000  -0.00001   0.00030   0.00028   1.06876
   D114      -1.01677   0.00000  -0.00001   0.00029   0.00028  -1.01649
   D115       0.90828   0.00000  -0.00007   0.00011   0.00004   0.90832
   D116      -1.19676   0.00000  -0.00006   0.00008   0.00002  -1.19674
   D117       2.99658   0.00000  -0.00005   0.00009   0.00004   2.99662
   D118      -1.20120   0.00000  -0.00006   0.00014   0.00008  -1.20111
   D119       2.97694   0.00000  -0.00005   0.00011   0.00007   2.97701
   D120       0.88710   0.00000  -0.00004   0.00013   0.00009   0.88718
   D121       3.00402   0.00000  -0.00010   0.00016   0.00006   3.00408
   D122       0.89897   0.00000  -0.00008   0.00013   0.00004   0.89902
   D123      -1.19087   0.00000  -0.00008   0.00014   0.00006  -1.19081
   D124      -1.03561   0.00000   0.00019   0.00033   0.00052  -1.03509
   D125       1.11267   0.00000   0.00018   0.00027   0.00045   1.11312
   D126      -3.13764   0.00000   0.00016   0.00032   0.00048  -3.13716
   D127       3.08826   0.00000   0.00019   0.00040   0.00059   3.08885
   D128      -1.04665   0.00001   0.00019   0.00034   0.00053  -1.04613
   D129       0.98623   0.00000   0.00017   0.00039   0.00056   0.98678
   D130       1.03858   0.00000   0.00026   0.00030   0.00056   1.03914
   D131      -3.09633   0.00000   0.00025   0.00024   0.00050  -3.09583
   D132      -1.06345   0.00000   0.00023   0.00029   0.00052  -1.06293
   D133      -1.55231   0.00000  -0.00022   0.00006  -0.00017  -1.55248
   D134       1.60114   0.00000  -0.00019   0.00002  -0.00017   1.60097
   D135       2.58921   0.00000  -0.00026   0.00008  -0.00018   2.58903
   D136      -0.54052   0.00000  -0.00022   0.00004  -0.00018  -0.54071
   D137       0.53287   0.00000  -0.00025   0.00009  -0.00016   0.53271
   D138      -2.59687   0.00000  -0.00022   0.00006  -0.00016  -2.59703
   D139       0.72231   0.00000   0.00057   0.00018   0.00075   0.72307
   D140       2.82117   0.00000   0.00058   0.00021   0.00078   2.82195
   D141      -1.40580   0.00000   0.00059   0.00020   0.00078  -1.40502
   D142      -1.37984   0.00000   0.00062   0.00015   0.00077  -1.37907
   D143       0.71901   0.00000   0.00063   0.00017   0.00080   0.71981
   D144       2.77523   0.00000   0.00064   0.00016   0.00080   2.77603
   D145       2.85099   0.00000   0.00056   0.00012   0.00068   2.85167
   D146      -1.33335   0.00000   0.00057   0.00015   0.00071  -1.33263
   D147       0.72287   0.00000   0.00058   0.00014   0.00071   0.72359
   D148      -0.83451   0.00000   0.00014   0.00011   0.00025  -0.83427
   D149      -2.96809   0.00000   0.00014   0.00012   0.00025  -2.96784
   D150       1.26260   0.00000   0.00016   0.00010   0.00027   1.26286
   D151      -2.93019   0.00000   0.00013   0.00009   0.00022  -2.92997
   D152       1.21942   0.00000   0.00013   0.00010   0.00022   1.21964
   D153      -0.83308   0.00000   0.00015   0.00008   0.00024  -0.83285
   D154       1.28705   0.00000   0.00014   0.00010   0.00024   1.28729
   D155      -0.84653   0.00000   0.00014   0.00010   0.00024  -0.84629
   D156      -2.89903   0.00000   0.00016   0.00009   0.00026  -2.89877
   D157      -1.26914   0.00000  -0.00219  -0.00114  -0.00333  -1.27246
   D158       1.88680   0.00000  -0.00226  -0.00117  -0.00344   1.88336
   D159       2.87436   0.00000  -0.00219  -0.00108  -0.00326   2.87110
   D160      -0.25289   0.00000  -0.00226  -0.00111  -0.00337  -0.25626
   D161       0.81732   0.00000  -0.00222  -0.00115  -0.00337   0.81395
   D162      -2.30993   0.00000  -0.00229  -0.00119  -0.00348  -2.31341
   D163      -3.12975   0.00000   0.00001  -0.00001   0.00000  -3.12975
   D164       0.01038   0.00000  -0.00001   0.00001   0.00000   0.01038
   D165       0.00015   0.00000  -0.00002   0.00002   0.00000   0.00015
   D166       3.14028   0.00000  -0.00004   0.00004   0.00000   3.14028
   D167       3.13055   0.00000   0.00000   0.00001   0.00002   3.13057
   D168      -0.01674   0.00000   0.00000   0.00002   0.00002  -0.01673
   D169       0.00073   0.00000   0.00004  -0.00002   0.00002   0.00075
   D170       3.13663   0.00000   0.00003  -0.00002   0.00001   3.13664
   D171      -3.12617   0.00000  -0.00007  -0.00003  -0.00010  -3.12627
   D172       0.02193   0.00000  -0.00007  -0.00004  -0.00011   0.02182
   D173       0.00126   0.00000   0.00000   0.00001   0.00001   0.00127
   D174      -3.13383   0.00000   0.00000   0.00000   0.00000  -3.13383
   D175       3.12460   0.00000   0.00007   0.00005   0.00012   3.12472
   D176      -0.02032   0.00000   0.00006   0.00005   0.00011  -0.02021
   D177      -0.00279   0.00000   0.00000   0.00001   0.00001  -0.00278
   D178       3.13547   0.00000  -0.00001   0.00002   0.00000   3.13548
   D179       2.69324   0.00000  -0.00198  -0.00124  -0.00321   2.69003
   D180       0.64896   0.00000  -0.00206  -0.00125  -0.00331   0.64564
   D181      -1.43439   0.00000  -0.00215  -0.00136  -0.00350  -1.43790
   D182      -0.51067   0.00000  -0.00218  -0.00127  -0.00345  -0.51412
   D183      -2.55495   0.00000  -0.00227  -0.00129  -0.00355  -2.55851
   D184       1.64488   0.00000  -0.00235  -0.00139  -0.00374   1.64113
   D185      -0.00029   0.00000  -0.00001  -0.00001  -0.00002  -0.00031
   D186       3.14067   0.00000  -0.00003  -0.00002  -0.00005   3.14062
   D187      -3.14042   0.00000   0.00001  -0.00002  -0.00002  -3.14044
   D188       0.00055   0.00000  -0.00001  -0.00004  -0.00005   0.00050
   D189      -0.00148   0.00000  -0.00003   0.00001  -0.00002  -0.00151
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   D191      -3.13743   0.00000  -0.00002   0.00000  -0.00002  -3.13744
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   D200       0.00452   0.00000   0.00003  -0.00003  -0.00001   0.00451
   D201      -0.00045   0.00000   0.00002  -0.00001   0.00001  -0.00044
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   D203      -3.14142   0.00000   0.00004   0.00001   0.00005  -3.14137
   D204       0.00014   0.00000   0.00002   0.00002   0.00004   0.00018
   D205       0.00134   0.00000  -0.00001   0.00001   0.00000   0.00134
   D206      -3.14022   0.00000   0.00001   0.00000   0.00001  -3.14021
   D207      -3.13803   0.00000   0.00001   0.00001   0.00002  -3.13801
   D208       0.00360   0.00000   0.00003  -0.00001   0.00002   0.00362
   D209      -0.00229   0.00000   0.00000   0.00001   0.00001  -0.00229
   D210       3.14047   0.00000   0.00001   0.00000   0.00001   3.14048
   D211       3.13718   0.00000  -0.00001   0.00002   0.00001   3.13719
   D212      -0.00324   0.00000  -0.00001   0.00001   0.00001  -0.00323
   D213       0.00077   0.00000   0.00000   0.00001   0.00001   0.00078
   D214       3.14119   0.00000  -0.00001   0.00001   0.00001   3.14119
   D215      -3.14022   0.00000  -0.00002   0.00002   0.00000  -3.14022
   D216       0.00020   0.00000  -0.00002   0.00003   0.00000   0.00020
   D217      -3.05986   0.00000   0.00013   0.00020   0.00032  -3.05954
   D218       0.07432   0.00000   0.00007   0.00024   0.00031   0.07463
   D219      -0.01558   0.00000   0.00013   0.00016   0.00028  -0.01530
   D220       3.11860   0.00000   0.00007   0.00020   0.00027   3.11887
   D221       3.06368   0.00000  -0.00016  -0.00020  -0.00036   3.06332
   D222      -0.06855   0.00000  -0.00026  -0.00032  -0.00058  -0.06913
   D223       0.02312   0.00000  -0.00016  -0.00017  -0.00033   0.02278
   D224      -3.10911   0.00000  -0.00027  -0.00029  -0.00055  -3.10966
   D225      -0.00280   0.00000  -0.00002  -0.00003  -0.00005  -0.00284
   D226       3.14040   0.00000  -0.00006   0.00002  -0.00004   3.14036
   D227      -3.13704   0.00000   0.00004  -0.00008  -0.00004  -3.13708
   D228       0.00615   0.00000   0.00000  -0.00002  -0.00003   0.00612
   D229      -2.85210   0.00000  -0.00113  -0.00118  -0.00231  -2.85441
   D230       1.34096  -0.00001  -0.00118  -0.00121  -0.00239   1.33856
   D231      -0.75092   0.00000  -0.00111  -0.00115  -0.00226  -0.75318
   D232       0.28194   0.00000  -0.00119  -0.00113  -0.00232   0.27963
   D233      -1.80818  -0.00001  -0.00124  -0.00117  -0.00240  -1.81058
   D234       2.38313   0.00000  -0.00117  -0.00110  -0.00227   2.38086
   D235      -0.01247   0.00000   0.00008   0.00006   0.00014  -0.01232
   D236       3.13626   0.00000   0.00006   0.00003   0.00009   3.13635
   D237       3.11990   0.00000   0.00019   0.00017   0.00036   3.12026
   D238      -0.01456   0.00000   0.00017   0.00014   0.00031  -0.01425
   D239       2.82210   0.00000   0.00049   0.00066   0.00115   2.82325
   D240       0.72156   0.00000   0.00045   0.00062   0.00107   0.72262
   D241      -1.36708   0.00000   0.00050   0.00066   0.00116  -1.36592
   D242      -0.30999   0.00000   0.00038   0.00054   0.00093  -0.30906
   D243      -2.41053   0.00000   0.00034   0.00050   0.00085  -2.40969
   D244       1.78402   0.00000   0.00040   0.00055   0.00094   1.78496
   D245       0.01323   0.00000  -0.00006  -0.00008  -0.00014   0.01309
   D246      -3.13350   0.00000  -0.00006  -0.00002  -0.00009  -3.13359
   D247      -3.12997   0.00000  -0.00001  -0.00013  -0.00014  -3.13012
   D248       0.00648   0.00000  -0.00002  -0.00008  -0.00010   0.00638
   D249      -0.00541   0.00000   0.00002   0.00006   0.00009  -0.00532
   D250       3.14132   0.00000   0.00003   0.00001   0.00004   3.14136
   D251       3.12901   0.00000   0.00004   0.00009   0.00014   3.12915
   D252      -0.00744   0.00000   0.00005   0.00004   0.00009  -0.00735
         Item               Value     Threshold  Converged?
 Maximum Force            0.000046     0.000450     YES
 RMS     Force            0.000008     0.000300     YES
 Maximum Displacement     0.026956     0.001800     NO 
 RMS     Displacement     0.003810     0.001200     NO 
 Predicted change in Energy=-1.831522D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.249636    0.003704   -0.929337
      2          8           0       -2.636424    0.225996   -2.480470
      3          8           0       -3.521043   -2.170347    1.267357
      4          8           0        2.348730    2.303579    2.267849
      5          8           0        3.451648   -0.994520    1.582375
      6          7           0       -2.722519   -2.634572   -0.872610
      7          7           0       -3.207118    0.393309   -0.253408
      8          7           0        2.130075    1.097186    0.318944
      9          7           0       -1.747680   -3.617839    1.117851
     10          6           0       -2.808961    1.765605   -0.042794
     11          6           0       -3.701498   -1.724035   -1.434328
     12          6           0       -1.422981    2.131871   -0.600710
     13          6           0       -0.300229    1.200452   -0.169696
     14          6           0       -4.176552   -2.103034   -2.853475
     15          6           0        1.081777    1.921024   -0.238700
     16          6           0       -2.880608    2.151175    1.450447
     17          6           0       -3.142591   -0.269724   -1.449542
     18          6           0       -1.537890   -2.922662   -1.655442
     19          6           0       -0.283237   -3.201418   -0.831960
     20          6           0        1.381992    2.318503   -1.696350
     21          6           0       -2.679914   -2.757144    0.533226
     22          6           0       -5.287715   -1.160105   -3.275113
     23          6           0       -4.676476   -3.531605   -2.903485
     24          6           0       -0.602647   -4.075034    0.377738
     25          6           0       -4.261320    2.047496    1.994757
     26          6           0        2.653143    3.076325   -1.837493
     27          6           0        2.637967    1.302253    1.580085
     28          6           0       -5.126332    3.146367    1.922907
     29          6           0       -4.705925    0.862685    2.594522
     30          6           0        2.734456    4.404703   -1.401330
     31          6           0        3.775409    2.478230   -2.421838
     32          6           0        3.661590    0.310533    2.132512
     33          6           0       -6.416413    3.062289    2.442942
     34          6           0       -5.997925    0.781790    3.112896
     35          6           0       -6.854390    1.879810    3.039132
     36          6           0        3.919483    5.122455   -1.549368
     37          6           0        4.959614    3.198859   -2.570617
     38          6           0        5.033767    4.521477   -2.135443
     39          6           0        4.619715   -1.657665    1.213988
     40          6           0        4.739070   -2.056617   -0.131362
     41          6           0        5.583942   -2.018540    2.172605
     42          6           0        5.854878   -2.811159   -0.507471
     43          6           0        6.691485   -2.766343    1.757719
     44          6           0        3.707740   -1.699012   -1.131474
     45          6           0        5.440714   -1.634501    3.595386
     46          6           0        6.827320   -3.156659    0.428043
     47          1           0       -3.550829    2.422504   -0.598292
     48          1           0       -4.613796   -1.757860   -0.759528
     49          1           0       -1.491365    2.135957   -1.723556
     50          1           0       -1.187675    3.175770   -0.265774
     51          1           0       -0.472844    0.849420    0.889403
     52          1           0       -3.312462   -1.980600   -3.565117
     53          1           0        1.012368    2.863984    0.383473
     54          1           0       -3.567135   -0.096670    0.540926
     55          1           0       -2.185433    1.502456    2.047331
     56          1           0       -2.517242    3.209338    1.544762
     57          1           0       -1.769463   -3.822420   -2.296303
     58          1           0       -1.327081   -2.047391   -2.339941
     59          1           0        0.464133   -3.727301   -1.477972
     60          1           0        0.170685   -2.229203   -0.498523
     61          1           0        1.406473    1.396079   -2.336244
     62          1           0        0.530518    2.957019   -2.056264
     63          1           0       -6.159511   -1.240201   -2.582039
     64          1           0       -5.630671   -1.420222   -4.305637
     65          1           0       -4.925261   -0.103384   -3.280624
     66          1           0       -5.436718   -3.709914   -2.105117
     67          1           0       -3.841448   -4.258776   -2.764297
     68          1           0       -5.151022   -3.731507   -3.895222
     69          1           0        0.293816   -4.112040    1.059389
     70          1           0       -0.812056   -5.127884    0.026705
     71          1           0        2.246041    0.198010   -0.094554
     72          1           0       -1.679787   -3.563777    2.108006
     73          1           0       -0.513527    0.210660   -1.837794
     74          1           0       -4.783816    4.080950    1.454329
     75          1           0       -4.040350   -0.014991    2.656185
     76          1           0        1.858600    4.879265   -0.934331
     77          1           0        3.723602    1.433256   -2.762532
     78          1           0        3.505060    0.233244    3.242537
     79          1           0        4.688869    0.700080    1.913985
     80          1           0       -7.088825    3.930484    2.383040
     81          1           0       -6.339769   -0.154246    3.579137
     82          1           0       -7.872259    1.813899    3.449798
     83          1           0        3.975769    6.164258   -1.201208
     84          1           0        5.836514    2.721622   -3.031875
     85          1           0        5.968060    5.089122   -2.252717
     86          1           0        5.962566   -3.131906   -1.554758
     87          1           0        7.457248   -3.052341    2.494725
     88          1           0        3.803248   -2.329264   -2.049711
     89          1           0        3.819577   -0.625330   -1.431123
     90          1           0        2.681724   -1.844889   -0.707105
     91          1           0        6.094848   -2.263224    4.248185
     92          1           0        4.379829   -1.761288    3.928171
     93          1           0        5.729019   -0.562293    3.738940
     94          1           0        7.703532   -3.744226    0.116015
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0833456      0.0419475      0.0367603
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.7996732131 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893512975     A.U. after   10 cycles
             Convg  =    0.5837D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000004728   -0.000016093   -0.000011664
      2        8           0.000003142    0.000001456    0.000000167
      3        8          -0.000007480    0.000014464   -0.000001452
      4        8           0.000007545   -0.000007884    0.000001921
      5        8           0.000001503    0.000005904   -0.000005619
      6        7          -0.000006296   -0.000029689    0.000022513
      7        7          -0.000007275   -0.000038406   -0.000005127
      8        7          -0.000003616   -0.000041353    0.000000167
      9        7          -0.000029534    0.000018882    0.000016035
     10        6          -0.000009449    0.000006448    0.000019777
     11        6          -0.000011339    0.000020983    0.000022916
     12        6          -0.000014651   -0.000006078    0.000007005
     13        6           0.000009189   -0.000001618    0.000017739
     14        6           0.000006853    0.000001397   -0.000011150
     15        6          -0.000014544    0.000035383   -0.000003240
     16        6           0.000010496   -0.000012633   -0.000016227
     17        6          -0.000016568   -0.000004223   -0.000000571
     18        6           0.000000144   -0.000001377    0.000005734
     19        6           0.000005535   -0.000002644   -0.000002194
     20        6          -0.000009107    0.000003221    0.000009548
     21        6           0.000031216    0.000017788   -0.000029052
     22        6          -0.000004602   -0.000001904   -0.000002510
     23        6          -0.000000500   -0.000008270   -0.000009899
     24        6           0.000028857   -0.000012889    0.000012596
     25        6          -0.000016651    0.000003982    0.000004271
     26        6           0.000004945   -0.000006919    0.000006012
     27        6           0.000004781    0.000024957   -0.000018168
     28        6          -0.000007349   -0.000001109   -0.000001046
     29        6           0.000012086    0.000002284   -0.000001070
     30        6          -0.000003909   -0.000000401   -0.000004576
     31        6           0.000000248   -0.000001140   -0.000000039
     32        6          -0.000012716    0.000001758   -0.000008299
     33        6          -0.000001147   -0.000006831   -0.000000270
     34        6          -0.000009298    0.000004964   -0.000002980
     35        6           0.000008472    0.000003172    0.000004194
     36        6           0.000000936   -0.000001193   -0.000001023
     37        6           0.000000705   -0.000001010    0.000002255
     38        6          -0.000000742   -0.000000319   -0.000001374
     39        6          -0.000014090   -0.000001316    0.000021601
     40        6          -0.000001295    0.000000738   -0.000010758
     41        6           0.000010315    0.000000102   -0.000000167
     42        6           0.000011427   -0.000003415    0.000004598
     43        6           0.000004816    0.000009589   -0.000016676
     44        6          -0.000002531   -0.000002240    0.000011957
     45        6           0.000001887    0.000001658   -0.000006050
     46        6          -0.000001334   -0.000008111    0.000017057
     47        1           0.000004066    0.000007713   -0.000005944
     48        1          -0.000010865   -0.000000939    0.000002454
     49        1           0.000000997    0.000001279   -0.000008150
     50        1           0.000001412   -0.000000461    0.000000328
     51        1           0.000001476   -0.000001242    0.000002802
     52        1          -0.000000834    0.000004181   -0.000002351
     53        1           0.000003924   -0.000001997    0.000005473
     54        1           0.000002044    0.000020256   -0.000010779
     55        1          -0.000003840   -0.000001296    0.000000073
     56        1           0.000009363    0.000009275    0.000004634
     57        1           0.000001055   -0.000002573    0.000001753
     58        1           0.000003205    0.000000321    0.000000038
     59        1           0.000000386    0.000001056   -0.000000805
     60        1           0.000003942    0.000001642    0.000002296
     61        1           0.000001609    0.000001587   -0.000001971
     62        1           0.000002441    0.000000520   -0.000002406
     63        1           0.000000353   -0.000001076    0.000000900
     64        1          -0.000000321    0.000000937   -0.000000609
     65        1           0.000003337    0.000001062    0.000001043
     66        1           0.000001245    0.000000542   -0.000000290
     67        1          -0.000000740    0.000001473   -0.000000577
     68        1           0.000002095   -0.000000346    0.000002323
     69        1          -0.000004643    0.000001658    0.000002341
     70        1          -0.000007737   -0.000002385   -0.000005306
     71        1           0.000004196    0.000005003    0.000004318
     72        1           0.000013469   -0.000007891   -0.000020505
     73        1           0.000009937    0.000008939   -0.000014567
     74        1           0.000004509    0.000000454    0.000002143
     75        1          -0.000001561   -0.000004709    0.000005614
     76        1           0.000001491   -0.000000439   -0.000000007
     77        1          -0.000002057   -0.000000747   -0.000000207
     78        1          -0.000005097   -0.000001036   -0.000000920
     79        1          -0.000000703   -0.000001167   -0.000001095
     80        1           0.000001214    0.000002488    0.000000174
     81        1           0.000000631   -0.000002240   -0.000001021
     82        1          -0.000001486   -0.000001287   -0.000000741
     83        1          -0.000000296    0.000000420    0.000001575
     84        1           0.000000057    0.000000525   -0.000002292
     85        1          -0.000000028    0.000000837    0.000001179
     86        1          -0.000001244    0.000000622    0.000001315
     87        1          -0.000000128   -0.000002381    0.000002054
     88        1          -0.000001095    0.000000204   -0.000003912
     89        1           0.000001989   -0.000000971   -0.000000806
     90        1           0.000003667    0.000000316    0.000004391
     91        1          -0.000001170   -0.000001829   -0.000001404
     92        1           0.000002629   -0.000000422    0.000001642
     93        1           0.000001490    0.000001638    0.000001038
     94        1           0.000001273    0.000002425   -0.000002100
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000041353 RMS     0.000008934

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000046662 RMS     0.000006399
 Search for a local minimum.
 Step number  42 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42
 DE= -2.05D-07 DEPred=-1.83D-07 R= 1.12D+00
 Trust test= 1.12D+00 RLast= 1.60D-02 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00055   0.00184   0.00186   0.00218   0.00233
     Eigenvalues ---    0.00237   0.00270   0.00320   0.00323   0.00398
     Eigenvalues ---    0.00409   0.00489   0.00513   0.00545   0.00566
     Eigenvalues ---    0.00620   0.00648   0.00742   0.00817   0.00983
     Eigenvalues ---    0.01210   0.01348   0.01404   0.01442   0.01459
     Eigenvalues ---    0.01487   0.01516   0.01577   0.01708   0.01886
     Eigenvalues ---    0.01958   0.02056   0.02100   0.02116   0.02128
     Eigenvalues ---    0.02147   0.02151   0.02156   0.02158   0.02160
     Eigenvalues ---    0.02171   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02182   0.02186   0.02187
     Eigenvalues ---    0.02189   0.02193   0.02263   0.02318   0.02455
     Eigenvalues ---    0.03117   0.03144   0.03386   0.03490   0.03801
     Eigenvalues ---    0.03863   0.04001   0.04050   0.04284   0.04328
     Eigenvalues ---    0.04391   0.04461   0.04621   0.04704   0.04875
     Eigenvalues ---    0.04897   0.05026   0.05054   0.05079   0.05269
     Eigenvalues ---    0.05349   0.05409   0.05440   0.05508   0.05573
     Eigenvalues ---    0.05605   0.05642   0.05674   0.05701   0.05915
     Eigenvalues ---    0.06064   0.06460   0.06871   0.07028   0.07116
     Eigenvalues ---    0.07185   0.07266   0.07386   0.07537   0.07579
     Eigenvalues ---    0.07874   0.08069   0.08318   0.08781   0.09233
     Eigenvalues ---    0.09390   0.09517   0.09758   0.11070   0.11637
     Eigenvalues ---    0.12162   0.12598   0.12881   0.12971   0.14104
     Eigenvalues ---    0.14516   0.15363   0.15728   0.15902   0.15964
     Eigenvalues ---    0.15977   0.15985   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16002   0.16002   0.16004   0.16006
     Eigenvalues ---    0.16007   0.16011   0.16015   0.16022   0.16022
     Eigenvalues ---    0.16073   0.16196   0.16240   0.16665   0.16826
     Eigenvalues ---    0.17579   0.17791   0.19139   0.19260   0.19752
     Eigenvalues ---    0.20284   0.20597   0.21095   0.21453   0.21969
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22078   0.22124
     Eigenvalues ---    0.22388   0.22737   0.23124   0.23326   0.23444
     Eigenvalues ---    0.23475   0.23545   0.23715   0.24029   0.24700
     Eigenvalues ---    0.24741   0.24898   0.24943   0.24991   0.25117
     Eigenvalues ---    0.25264   0.26027   0.26419   0.26684   0.27240
     Eigenvalues ---    0.27891   0.28089   0.28248   0.28445   0.28759
     Eigenvalues ---    0.29144   0.29401   0.29988   0.30078   0.30433
     Eigenvalues ---    0.30852   0.31145   0.31821   0.32306   0.32712
     Eigenvalues ---    0.33562   0.34177   0.34450   0.34458   0.34531
     Eigenvalues ---    0.34589   0.34636   0.34644   0.34674   0.34694
     Eigenvalues ---    0.34708   0.34725   0.34731   0.34740   0.34745
     Eigenvalues ---    0.34752   0.34770   0.34776   0.34779   0.34793
     Eigenvalues ---    0.34806   0.34817   0.34821   0.34832   0.34846
     Eigenvalues ---    0.34855   0.34877   0.34917   0.34963   0.35059
     Eigenvalues ---    0.35485   0.35661   0.35886   0.35907   0.35926
     Eigenvalues ---    0.35943   0.35971   0.35982   0.35993   0.35996
     Eigenvalues ---    0.36012   0.36023   0.36035   0.36054   0.36098
     Eigenvalues ---    0.36475   0.38589   0.38927   0.39574   0.40829
     Eigenvalues ---    0.41667   0.42266   0.42306   0.42377   0.43176
     Eigenvalues ---    0.43642   0.44652   0.45452   0.45668   0.45914
     Eigenvalues ---    0.46068   0.46137   0.46303   0.46371   0.46496
     Eigenvalues ---    0.46556   0.46769   0.46782   0.46887   0.46944
     Eigenvalues ---    0.47207   0.47969   0.48789   0.50818   0.52453
     Eigenvalues ---    0.52558   0.55147   0.57908   0.59196   0.61087
     Eigenvalues ---    0.65755   0.81268   0.89178   0.91421   0.92923
     Eigenvalues ---    0.954851000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    42   41   40   39   38
 RFO step:  Lambda=-3.79426037D-08.
 DIIS coeffs:      1.18245      0.10716     -0.43702      0.00524      0.14216
 Iteration  1 RMS(Cart)=  0.00192048 RMS(Int)=  0.00000048
 Iteration  2 RMS(Cart)=  0.00000148 RMS(Int)=  0.00000003
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000003
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68036  -0.00002  -0.00005   0.00001  -0.00004   2.68032
    R2        1.82998  -0.00002  -0.00004  -0.00001  -0.00005   1.82993
    R3        2.36386   0.00000  -0.00001   0.00000  -0.00001   2.36385
    R4        2.38344   0.00001   0.00003  -0.00002   0.00001   2.38345
    R5        2.35976  -0.00001   0.00001  -0.00002  -0.00001   2.35975
    R6        2.70560   0.00002   0.00002   0.00002   0.00004   2.70565
    R7        2.63198   0.00002   0.00002   0.00000   0.00003   2.63201
    R8        2.74043   0.00003  -0.00002   0.00001  -0.00002   2.74041
    R9        2.73793   0.00002   0.00000   0.00000   0.00000   2.73793
   R10        2.66794   0.00005   0.00006  -0.00001   0.00005   2.66799
   R11        2.72938  -0.00001  -0.00003   0.00000  -0.00003   2.72935
   R12        2.58728   0.00000  -0.00001   0.00001   0.00001   2.58729
   R13        1.89035   0.00002   0.00003   0.00002   0.00005   1.89040
   R14        2.73103   0.00001   0.00002   0.00002   0.00004   2.73107
   R15        2.59828   0.00002   0.00002   0.00003   0.00005   2.59833
   R16        1.88305   0.00001   0.00001   0.00002   0.00003   1.88308
   R17        2.63997   0.00000  -0.00004   0.00001  -0.00003   2.63994
   R18        2.71746   0.00002   0.00001   0.00005   0.00006   2.71752
   R19        1.87829   0.00002   0.00000   0.00003   0.00003   1.87832
   R20        2.90696   0.00000   0.00001  -0.00002  -0.00002   2.90695
   R21        2.91751   0.00000   0.00001   0.00002   0.00003   2.91754
   R22        2.14670  -0.00001   0.00001  -0.00002  -0.00001   2.14669
   R23        2.91735  -0.00002   0.00000  -0.00006  -0.00006   2.91729
   R24        2.94435   0.00002   0.00001   0.00002   0.00003   2.94438
   R25        2.14531   0.00000   0.00002   0.00000   0.00002   2.14533
   R26        2.87455   0.00001  -0.00001   0.00001   0.00000   2.87455
   R27        2.12582  -0.00001  -0.00002  -0.00001  -0.00003   2.12579
   R28        2.11892   0.00000   0.00000   0.00001   0.00001   2.11892
   R29        2.94817  -0.00001   0.00000  -0.00003  -0.00003   2.94814
   R30        2.13356   0.00000   0.00000   0.00002   0.00001   2.13357
   R31        2.86689   0.00000   0.00000   0.00000   0.00000   2.86690
   R32        2.86170  -0.00001  -0.00003  -0.00001  -0.00004   2.86166
   R33        2.12800   0.00000  -0.00001   0.00000   0.00000   2.12800
   R34        2.91095   0.00001   0.00001   0.00002   0.00002   2.91098
   R35        2.13889  -0.00001  -0.00001  -0.00001  -0.00001   2.13888
   R36        2.81143   0.00001   0.00001   0.00002   0.00002   2.81146
   R37        2.12153   0.00000   0.00000   0.00000   0.00000   2.12152
   R38        2.12175  -0.00001  -0.00002  -0.00002  -0.00003   2.12172
   R39        2.88453   0.00001  -0.00002   0.00002   0.00000   2.88454
   R40        2.13288   0.00000   0.00001   0.00000   0.00001   2.13289
   R41        2.13721   0.00000  -0.00001   0.00000  -0.00001   2.13720
   R42        2.88367   0.00000   0.00000   0.00000   0.00000   2.88367
   R43        2.11484   0.00000  -0.00001   0.00001   0.00000   2.11484
   R44        2.12325   0.00000   0.00000   0.00000   0.00000   2.12325
   R45        2.80930   0.00001   0.00001   0.00002   0.00002   2.80933
   R46        2.12199   0.00000   0.00000   0.00000   0.00000   2.12199
   R47        2.12310   0.00000   0.00000   0.00000  -0.00001   2.12310
   R48        2.11007   0.00000   0.00000   0.00000   0.00000   2.11007
   R49        2.11046   0.00000   0.00000   0.00000   0.00000   2.11046
   R50        2.11114   0.00000   0.00000   0.00000   0.00000   2.11114
   R51        2.11037   0.00000   0.00001   0.00000   0.00001   2.11038
   R52        2.10891   0.00000   0.00000   0.00000   0.00000   2.10891
   R53        2.11168   0.00000   0.00001   0.00000   0.00001   2.11169
   R54        2.12933  -0.00001  -0.00001  -0.00001  -0.00001   2.12932
   R55        2.13428  -0.00001  -0.00001  -0.00001  -0.00002   2.13425
   R56        2.64624   0.00000   0.00000   0.00000   0.00000   2.64624
   R57        2.64640   0.00000   0.00000   0.00000   0.00000   2.64641
   R58        2.64659   0.00000   0.00001   0.00000   0.00001   2.64660
   R59        2.64471   0.00000   0.00000   0.00000   0.00000   2.64471
   R60        2.88856   0.00000  -0.00001  -0.00003  -0.00004   2.88852
   R61        2.63331   0.00000  -0.00001   0.00000  -0.00001   2.63330
   R62        2.07898   0.00000   0.00000   0.00000   0.00000   2.07898
   R63        2.63515   0.00000   0.00001   0.00000   0.00001   2.63516
   R64        2.08480   0.00000   0.00001   0.00000   0.00001   2.08481
   R65        2.63301   0.00000   0.00000   0.00000   0.00000   2.63302
   R66        2.07906   0.00000   0.00000   0.00000   0.00000   2.07906
   R67        2.63465   0.00000  -0.00001   0.00000   0.00000   2.63464
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12342   0.00000   0.00000  -0.00001  -0.00001   2.12342
   R70        2.11683   0.00000   0.00002  -0.00001   0.00001   2.11684
   R71        2.63583   0.00000   0.00001   0.00000   0.00001   2.63584
   R72        2.07826   0.00000   0.00000   0.00000   0.00000   2.07826
   R73        2.63522   0.00000  -0.00001  -0.00001  -0.00001   2.63520
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63635   0.00000  -0.00001   0.00000  -0.00001   2.63634
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63493   0.00000   0.00000   0.00000   0.00000   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07774
   R81        2.66135   0.00001  -0.00002  -0.00001  -0.00004   2.66131
   R82        2.65835   0.00002   0.00002   0.00004   0.00006   2.65841
   R83        2.64279   0.00001   0.00002   0.00001   0.00004   2.64283
   R84        2.79765   0.00000   0.00000   0.00000   0.00000   2.79766
   R85        2.64426   0.00000  -0.00001   0.00000  -0.00001   2.64425
   R86        2.79801   0.00001  -0.00001   0.00002   0.00001   2.79802
   R87        2.63222   0.00000  -0.00001  -0.00001  -0.00002   2.63220
   R88        2.07980   0.00000   0.00000   0.00000   0.00001   2.07981
   R89        2.63129   0.00001   0.00003   0.00001   0.00004   2.63134
   R90        2.07987   0.00000   0.00000   0.00000   0.00000   2.07987
   R91        2.11235   0.00000   0.00000  -0.00001  -0.00001   2.11234
   R92        2.11708   0.00000   0.00002  -0.00001   0.00001   2.11708
   R93        2.11622   0.00000  -0.00001   0.00001   0.00000   2.11622
   R94        2.11221   0.00000   0.00000  -0.00001   0.00000   2.11221
   R95        2.11472   0.00000   0.00000   0.00000   0.00000   2.11472
   R96        2.11561   0.00000   0.00000   0.00000   0.00000   2.11562
   R97        2.07899   0.00000   0.00000   0.00000   0.00000   2.07899
    A1        1.88850   0.00000   0.00006  -0.00001   0.00005   1.88856
    A2        1.99616   0.00002  -0.00002   0.00004   0.00003   1.99619
    A3        2.05729   0.00000   0.00002   0.00006   0.00008   2.05736
    A4        2.04946   0.00001   0.00002   0.00004   0.00006   2.04952
    A5        2.08988  -0.00001  -0.00005   0.00004  -0.00001   2.08987
    A6        2.18282   0.00001   0.00007   0.00000   0.00007   2.18289
    A7        2.03623  -0.00001  -0.00003  -0.00002  -0.00005   2.03618
    A8        2.06405   0.00000  -0.00005   0.00002  -0.00003   2.06402
    A9        2.13749   0.00000  -0.00007  -0.00004  -0.00011   2.13737
   A10        2.02494   0.00000  -0.00001  -0.00011  -0.00011   2.02483
   A11        2.06259   0.00000  -0.00005  -0.00011  -0.00015   2.06244
   A12        2.10812   0.00001   0.00001  -0.00001   0.00000   2.10812
   A13        2.01413   0.00000  -0.00002  -0.00001  -0.00003   2.01410
   A14        2.06646  -0.00001  -0.00010  -0.00005  -0.00015   2.06630
   A15        2.00613   0.00001  -0.00004   0.00001  -0.00003   2.00609
   A16        1.94500  -0.00001  -0.00003   0.00001  -0.00003   1.94498
   A17        1.87349   0.00000   0.00003   0.00002   0.00005   1.87353
   A18        1.91042   0.00000   0.00001  -0.00001   0.00000   1.91043
   A19        1.84768   0.00000   0.00005   0.00000   0.00006   1.84774
   A20        1.87364   0.00000  -0.00002  -0.00003  -0.00004   1.87360
   A21        1.99288  -0.00001   0.00000  -0.00002  -0.00002   1.99286
   A22        1.92590   0.00002   0.00001  -0.00003  -0.00002   1.92587
   A23        1.86874   0.00001   0.00003   0.00008   0.00010   1.86884
   A24        1.90769  -0.00001  -0.00001  -0.00002  -0.00003   1.90766
   A25        1.86692   0.00000   0.00001  -0.00002  -0.00001   1.86691
   A26        1.89851   0.00000  -0.00003   0.00001  -0.00002   1.89850
   A27        2.00034   0.00000  -0.00006   0.00001  -0.00005   2.00029
   A28        1.88400   0.00000   0.00004   0.00001   0.00005   1.88404
   A29        1.87801   0.00000   0.00001  -0.00001   0.00001   1.87802
   A30        1.90701   0.00000   0.00005   0.00001   0.00007   1.90708
   A31        1.90766   0.00000  -0.00003  -0.00002  -0.00005   1.90760
   A32        1.88339   0.00000  -0.00002   0.00000  -0.00002   1.88337
   A33        1.97274   0.00001   0.00011   0.00002   0.00013   1.97287
   A34        1.91178  -0.00001  -0.00008  -0.00001  -0.00008   1.91170
   A35        1.81885   0.00000  -0.00002   0.00003   0.00000   1.81885
   A36        1.93745   0.00000  -0.00001  -0.00003  -0.00004   1.93740
   A37        1.92126   0.00000  -0.00001   0.00000  -0.00001   1.92125
   A38        1.89708   0.00000   0.00000  -0.00001  -0.00001   1.89708
   A39        1.90528   0.00000  -0.00003   0.00002  -0.00001   1.90527
   A40        1.94286  -0.00001   0.00001  -0.00004  -0.00003   1.94283
   A41        1.89454   0.00000  -0.00002   0.00001  -0.00001   1.89453
   A42        1.91278   0.00001   0.00003   0.00001   0.00004   1.91282
   A43        1.89527   0.00000   0.00000   0.00000   0.00001   1.89527
   A44        1.91242   0.00000   0.00001  -0.00001   0.00000   1.91242
   A45        1.94142   0.00000   0.00002  -0.00001   0.00000   1.94143
   A46        1.95072   0.00001   0.00002   0.00002   0.00005   1.95077
   A47        1.88314   0.00000   0.00001  -0.00001   0.00001   1.88315
   A48        1.91100  -0.00001  -0.00003  -0.00005  -0.00008   1.91092
   A49        1.88195   0.00000   0.00000   0.00003   0.00003   1.88198
   A50        1.89351   0.00000  -0.00002   0.00002   0.00000   1.89350
   A51        1.96008  -0.00002  -0.00008  -0.00003  -0.00011   1.95997
   A52        1.91897   0.00000   0.00002   0.00002   0.00004   1.91901
   A53        1.87716   0.00001   0.00004   0.00001   0.00005   1.87721
   A54        1.91759   0.00001   0.00002   0.00001   0.00003   1.91762
   A55        1.91271   0.00001   0.00001   0.00001   0.00002   1.91273
   A56        1.87499  -0.00001  -0.00002  -0.00002  -0.00004   1.87496
   A57        2.14978  -0.00001  -0.00003   0.00001  -0.00001   2.14976
   A58        2.12127  -0.00001   0.00005  -0.00002   0.00003   2.12130
   A59        2.01151   0.00002  -0.00002   0.00001  -0.00002   2.01149
   A60        2.00081   0.00001   0.00000  -0.00001  -0.00002   2.00079
   A61        1.87292   0.00000  -0.00001   0.00003   0.00002   1.87294
   A62        1.90237   0.00000   0.00001  -0.00001   0.00000   1.90237
   A63        1.90644  -0.00001  -0.00001  -0.00002  -0.00002   1.90642
   A64        1.89087   0.00000  -0.00002   0.00001  -0.00001   1.89086
   A65        1.88761   0.00000   0.00003   0.00000   0.00003   1.88764
   A66        1.93925   0.00000  -0.00001  -0.00002  -0.00003   1.93922
   A67        1.90002   0.00000  -0.00001   0.00002   0.00001   1.90003
   A68        1.91150   0.00000   0.00003   0.00000   0.00002   1.91152
   A69        1.90537   0.00000  -0.00001   0.00002   0.00001   1.90539
   A70        1.92269   0.00000  -0.00001   0.00001  -0.00001   1.92269
   A71        1.88400   0.00000   0.00000  -0.00002  -0.00001   1.88399
   A72        1.96928   0.00001  -0.00001   0.00003   0.00002   1.96931
   A73        1.90871   0.00000  -0.00002   0.00000  -0.00002   1.90869
   A74        1.87767   0.00000  -0.00002  -0.00004  -0.00006   1.87761
   A75        1.92410   0.00000   0.00003  -0.00002   0.00001   1.92412
   A76        1.90488   0.00000   0.00000   0.00002   0.00002   1.90490
   A77        1.87636   0.00000   0.00002   0.00000   0.00003   1.87638
   A78        2.11657   0.00000  -0.00005  -0.00001  -0.00006   2.11651
   A79        2.08068   0.00000   0.00004   0.00001   0.00005   2.08073
   A80        2.08327  -0.00001   0.00002  -0.00001   0.00001   2.08328
   A81        1.93345   0.00000   0.00000   0.00000   0.00000   1.93346
   A82        1.91411   0.00000   0.00001   0.00000   0.00001   1.91412
   A83        1.93013   0.00000  -0.00003   0.00000  -0.00003   1.93009
   A84        1.89260   0.00000   0.00000   0.00000  -0.00001   1.89259
   A85        1.90099   0.00000   0.00001   0.00001   0.00001   1.90100
   A86        1.89166   0.00000   0.00001   0.00000   0.00001   1.89168
   A87        1.93024   0.00000   0.00000   0.00000   0.00000   1.93024
   A88        1.94288   0.00000   0.00002  -0.00001   0.00001   1.94289
   A89        1.91586   0.00000   0.00001   0.00000   0.00001   1.91588
   A90        1.89249   0.00000  -0.00001  -0.00001  -0.00002   1.89247
   A91        1.89316   0.00000   0.00001   0.00001   0.00001   1.89318
   A92        1.88797   0.00000  -0.00002   0.00000  -0.00002   1.88794
   A93        1.97431   0.00000  -0.00001   0.00002   0.00001   1.97433
   A94        1.90984   0.00000   0.00002  -0.00001   0.00000   1.90984
   A95        1.88463   0.00000  -0.00001  -0.00004  -0.00005   1.88459
   A96        1.90905   0.00000  -0.00002   0.00000  -0.00001   1.90903
   A97        1.90298   0.00000  -0.00001   0.00001   0.00000   1.90298
   A98        1.88065   0.00000   0.00003   0.00002   0.00004   1.88070
   A99        2.09419   0.00000   0.00000   0.00000   0.00000   2.09418
   A100       2.10632  -0.00001  -0.00001   0.00000  -0.00002   2.10630
   A101       2.08262   0.00001   0.00001   0.00001   0.00002   2.08264
   A102       2.09854   0.00000  -0.00002   0.00000  -0.00003   2.09851
   A103       2.10303   0.00000   0.00003   0.00000   0.00003   2.10306
   A104       2.08153   0.00000   0.00000   0.00000   0.00000   2.08153
   A105       2.14030   0.00000   0.00000   0.00004   0.00004   2.14034
   A106       2.06725  -0.00001  -0.00001   0.00002   0.00001   2.06726
   A107       2.07384   0.00001   0.00000  -0.00007  -0.00006   2.07377
   A108       2.10062   0.00000  -0.00001   0.00000  -0.00001   2.10061
   A109       2.08997   0.00000  -0.00001  -0.00001  -0.00002   2.08995
   A110       2.09259   0.00001   0.00002   0.00001   0.00004   2.09263
   A111       2.09721   0.00000  -0.00001  -0.00001  -0.00002   2.09720
   A112       2.10073   0.00000   0.00000   0.00000   0.00000   2.10072
   A113       2.08523   0.00001   0.00001   0.00001   0.00002   2.08525
   A114       2.10005   0.00000   0.00000   0.00000   0.00000   2.10005
   A115       2.08875   0.00000   0.00000   0.00000   0.00000   2.08875
   A116       2.09437   0.00000   0.00000   0.00000   0.00000   2.09437
   A117       2.09992   0.00000   0.00000   0.00000   0.00000   2.09992
   A118       2.09137   0.00000  -0.00001  -0.00001  -0.00002   2.09135
   A119       2.09189   0.00000   0.00001   0.00001   0.00002   2.09190
   A120       1.93299   0.00002  -0.00004  -0.00009  -0.00013   1.93285
   A121       1.87177   0.00000   0.00000   0.00007   0.00007   1.87184
   A122       1.95681  -0.00001   0.00002  -0.00001   0.00001   1.95682
   A123       1.88426  -0.00002   0.00000  -0.00005  -0.00005   1.88421
   A124       1.89442   0.00000   0.00000   0.00008   0.00008   1.89450
   A125       1.92238   0.00000   0.00001   0.00001   0.00002   1.92240
   A126       2.09597   0.00000   0.00000   0.00000   0.00000   2.09597
   A127       2.09218   0.00000   0.00001   0.00001   0.00002   2.09220
   A128       2.09503   0.00000  -0.00001  -0.00001  -0.00002   2.09501
   A129       2.09868   0.00000   0.00000   0.00000   0.00000   2.09868
   A130       2.08838   0.00000  -0.00001  -0.00001  -0.00001   2.08836
   A131       2.09613   0.00000   0.00001   0.00000   0.00001   2.09614
   A132       2.09126   0.00000   0.00001   0.00000   0.00001   2.09127
   A133       2.09570   0.00000  -0.00001  -0.00001  -0.00002   2.09568
   A134       2.09623   0.00000   0.00000   0.00001   0.00001   2.09624
   A135       2.09674   0.00000   0.00000   0.00000   0.00000   2.09674
   A136       2.09189   0.00000   0.00000   0.00000   0.00000   2.09188
   A137       2.09455   0.00000   0.00000   0.00000   0.00000   2.09456
   A138       2.09689   0.00000   0.00000   0.00000   0.00000   2.09689
   A139       2.09177   0.00000   0.00001   0.00001   0.00001   2.09178
   A140       2.09453   0.00000  -0.00001   0.00000  -0.00001   2.09452
   A141       2.09123   0.00000   0.00000   0.00000   0.00000   2.09123
   A142       2.09568   0.00000   0.00000   0.00000   0.00001   2.09569
   A143       2.09627   0.00000  -0.00001   0.00000  -0.00001   2.09626
   A144       2.04724   0.00003   0.00003   0.00005   0.00008   2.04733
   A145       2.11384  -0.00002  -0.00004  -0.00004  -0.00007   2.11377
   A146       2.11790  -0.00001   0.00000  -0.00002  -0.00002   2.11788
   A147       2.06845   0.00000   0.00000   0.00001   0.00001   2.06847
   A148       2.11516   0.00001  -0.00002   0.00001  -0.00001   2.11515
   A149       2.09955  -0.00002   0.00002  -0.00002   0.00000   2.09955
   A150       2.06869   0.00001   0.00001   0.00001   0.00001   2.06870
   A151       2.11996   0.00000  -0.00003   0.00000  -0.00003   2.11993
   A152       2.09450  -0.00001   0.00003  -0.00001   0.00002   2.09452
   A153       2.10623   0.00000   0.00000   0.00001   0.00001   2.10624
   A154       2.08428   0.00000  -0.00002   0.00000  -0.00002   2.08426
   A155       2.09267   0.00000   0.00003  -0.00001   0.00002   2.09269
   A156       2.10617   0.00000  -0.00001   0.00000  -0.00001   2.10616
   A157       2.08406   0.00000   0.00003   0.00001   0.00004   2.08410
   A158       2.09294   0.00000  -0.00002  -0.00001  -0.00003   2.09291
   A159       1.93823   0.00000   0.00002   0.00000   0.00003   1.93825
   A160       1.92052   0.00000  -0.00001   0.00000  -0.00002   1.92051
   A161       1.92921   0.00000  -0.00002  -0.00001  -0.00003   1.92918
   A162       1.88822   0.00000   0.00003  -0.00002   0.00002   1.88823
   A163       1.89244   0.00000   0.00000   0.00000   0.00000   1.89245
   A164       1.89406   0.00000  -0.00003   0.00002   0.00000   1.89406
   A165       1.93768   0.00000   0.00002   0.00000   0.00003   1.93770
   A166       1.92631   0.00000  -0.00001   0.00000  -0.00001   1.92630
   A167       1.92486   0.00000  -0.00002  -0.00001  -0.00003   1.92483
   A168       1.89378   0.00000   0.00001   0.00000   0.00002   1.89380
   A169       1.88927   0.00000   0.00000   0.00000   0.00000   1.88927
   A170       1.89074   0.00000   0.00000   0.00001   0.00001   1.89075
   A171       2.09870   0.00000   0.00000  -0.00001   0.00000   2.09870
   A172       2.09210   0.00000   0.00003   0.00001   0.00004   2.09214
   A173       2.09237   0.00000  -0.00003   0.00000  -0.00004   2.09233
    D1        0.60309   0.00000  -0.00070   0.00027  -0.00043   0.60265
    D2       -1.56714   0.00000  -0.00071   0.00030  -0.00041  -1.56755
    D3        2.68884   0.00000  -0.00067   0.00030  -0.00037   2.68848
    D4        2.40108   0.00002   0.00028   0.00090   0.00118   2.40226
    D5       -1.83007   0.00001   0.00026   0.00083   0.00109  -1.82898
    D6        0.28219   0.00000   0.00029   0.00088   0.00116   0.28335
    D7       -2.12154   0.00000   0.00027   0.00053   0.00081  -2.12073
    D8        1.11717   0.00000   0.00033   0.00055   0.00089   1.11805
    D9        0.92483   0.00000   0.00011  -0.00023  -0.00011   0.92472
   D10       -1.23192   0.00001   0.00012  -0.00017  -0.00004  -1.23196
   D11        2.98779   0.00000   0.00014  -0.00021  -0.00007   2.98772
   D12       -2.65217   0.00000   0.00009   0.00009   0.00017  -2.65199
   D13        1.47427   0.00001   0.00010   0.00015   0.00025   1.47452
   D14       -0.58921   0.00000   0.00012   0.00011   0.00022  -0.58899
   D15        2.58828   0.00001  -0.00023   0.00023   0.00000   2.58827
   D16       -1.57433   0.00001  -0.00025   0.00022  -0.00003  -1.57436
   D17        0.46595   0.00001  -0.00021   0.00023   0.00002   0.46597
   D18       -0.10753   0.00000  -0.00023  -0.00009  -0.00032  -0.10785
   D19        2.01305   0.00000  -0.00024  -0.00010  -0.00034   2.01271
   D20       -2.22986   0.00000  -0.00021  -0.00009  -0.00029  -2.23015
   D21        0.08464   0.00000   0.00002  -0.00018  -0.00016   0.08449
   D22       -3.13588   0.00000   0.00007  -0.00024  -0.00017  -3.13605
   D23        2.78240   0.00001   0.00002   0.00015   0.00016   2.78256
   D24       -0.43812   0.00000   0.00006   0.00008   0.00014  -0.43797
   D25       -0.85627   0.00000  -0.00012   0.00007  -0.00006  -0.85633
   D26       -3.04256   0.00000  -0.00008   0.00006  -0.00001  -3.04257
   D27        1.19374   0.00000  -0.00006   0.00008   0.00002   1.19376
   D28        2.29958   0.00000   0.00030   0.00025   0.00056   2.30014
   D29        0.11329   0.00000   0.00035   0.00025   0.00060   0.11389
   D30       -1.93360   0.00001   0.00037   0.00027   0.00064  -1.93296
   D31        0.09094   0.00000   0.00020  -0.00003   0.00017   0.09110
   D32       -3.08824   0.00000   0.00014  -0.00011   0.00003  -3.08821
   D33       -3.06512   0.00000  -0.00024  -0.00022  -0.00046  -3.06558
   D34        0.03888   0.00000  -0.00030  -0.00030  -0.00059   0.03829
   D35       -1.77711   0.00001   0.00045   0.00046   0.00090  -1.77620
   D36        2.36408   0.00001   0.00046   0.00051   0.00097   2.36505
   D37        0.28371   0.00001   0.00047   0.00048   0.00095   0.28465
   D38        0.99764  -0.00001   0.00007  -0.00034  -0.00027   0.99738
   D39       -1.14436   0.00000   0.00009  -0.00028  -0.00020  -1.14456
   D40        3.05846   0.00000   0.00009  -0.00032  -0.00023   3.05823
   D41       -0.15432  -0.00001  -0.00049  -0.00068  -0.00118  -0.15550
   D42        3.05259  -0.00002  -0.00036  -0.00050  -0.00086   3.05173
   D43       -2.92159   0.00000  -0.00011   0.00012   0.00001  -2.92158
   D44        0.28533   0.00000   0.00002   0.00031   0.00033   0.28565
   D45       -2.90373  -0.00001   0.00021  -0.00009   0.00012  -2.90361
   D46        0.31515   0.00000   0.00017  -0.00002   0.00014   0.31529
   D47       -0.22269  -0.00001  -0.00008  -0.00027  -0.00035  -0.22304
   D48        2.99619  -0.00001  -0.00012  -0.00021  -0.00033   2.99586
   D49        0.33654   0.00000  -0.00019  -0.00001  -0.00021   0.33633
   D50        2.46967   0.00000  -0.00021  -0.00001  -0.00021   2.46946
   D51       -1.77103   0.00000  -0.00017  -0.00002  -0.00019  -1.77122
   D52       -2.33110   0.00000   0.00007   0.00016   0.00024  -2.33087
   D53       -0.19797   0.00000   0.00006   0.00017   0.00023  -0.19774
   D54        1.84451   0.00000   0.00010   0.00016   0.00026   1.84477
   D55       -0.89972   0.00000  -0.00007  -0.00018  -0.00026  -0.89998
   D56        1.22942   0.00000  -0.00001  -0.00016  -0.00017   1.22926
   D57       -3.02527   0.00000  -0.00001  -0.00016  -0.00016  -3.02543
   D58        1.30446  -0.00001  -0.00014  -0.00017  -0.00032   1.30415
   D59       -2.84958   0.00000  -0.00008  -0.00015  -0.00023  -2.84980
   D60       -0.82109   0.00000  -0.00008  -0.00015  -0.00022  -0.82131
   D61       -2.96428  -0.00001  -0.00013  -0.00021  -0.00033  -2.96461
   D62       -0.83513   0.00000  -0.00007  -0.00018  -0.00025  -0.83538
   D63        1.19336   0.00000  -0.00006  -0.00018  -0.00024   1.19312
   D64       -1.07797   0.00000  -0.00040  -0.00030  -0.00070  -1.07867
   D65        1.06292   0.00000  -0.00041  -0.00030  -0.00071   1.06222
   D66        3.09939   0.00000  -0.00039  -0.00031  -0.00070   3.09869
   D67        2.96662   0.00000  -0.00033  -0.00031  -0.00064   2.96598
   D68       -1.17567   0.00000  -0.00034  -0.00031  -0.00064  -1.17632
   D69        0.86079   0.00000  -0.00032  -0.00031  -0.00064   0.86015
   D70        0.96882   0.00000  -0.00039  -0.00030  -0.00068   0.96814
   D71        3.10972   0.00000  -0.00040  -0.00029  -0.00069   3.10903
   D72       -1.13701   0.00000  -0.00038  -0.00030  -0.00068  -1.13769
   D73        3.04744   0.00000  -0.00009   0.00013   0.00004   3.04747
   D74        0.93361   0.00000  -0.00011   0.00012   0.00002   0.93362
   D75       -1.17269   0.00000  -0.00012   0.00015   0.00003  -1.17266
   D76       -1.06922   0.00001  -0.00009   0.00006  -0.00003  -1.06925
   D77        3.10014   0.00000  -0.00011   0.00006  -0.00005   3.10009
   D78        0.99385   0.00001  -0.00012   0.00009  -0.00003   0.99381
   D79        0.98344   0.00000  -0.00013   0.00006  -0.00007   0.98337
   D80       -1.13039   0.00000  -0.00015   0.00005  -0.00009  -1.13048
   D81        3.04650   0.00000  -0.00016   0.00008  -0.00007   3.04643
   D82        1.71270  -0.00001   0.00016   0.00006   0.00022   1.71292
   D83       -1.39198  -0.00001   0.00022   0.00013   0.00035  -1.39162
   D84       -0.49265   0.00000   0.00017   0.00012   0.00028  -0.49237
   D85        2.68586   0.00000   0.00023   0.00019   0.00042   2.68627
   D86       -2.52535   0.00001   0.00018   0.00014   0.00032  -2.52503
   D87        0.65316   0.00001   0.00024   0.00021   0.00045   0.65361
   D88        1.40579   0.00000   0.00027  -0.00043  -0.00016   1.40563
   D89       -2.72125   0.00000   0.00024  -0.00044  -0.00020  -2.72145
   D90       -0.61998   0.00000   0.00023  -0.00047  -0.00024  -0.62022
   D91       -0.71078   0.00000   0.00021  -0.00045  -0.00024  -0.71101
   D92        1.44537   0.00000   0.00019  -0.00047  -0.00028   1.44509
   D93       -2.73654   0.00000   0.00018  -0.00050  -0.00032  -2.73686
   D94       -2.76810   0.00000   0.00022  -0.00044  -0.00022  -2.76832
   D95       -0.61196   0.00000   0.00020  -0.00046  -0.00026  -0.61222
   D96        1.48932   0.00000   0.00019  -0.00049  -0.00030   1.48901
   D97       -1.07057   0.00000  -0.00005   0.00049   0.00045  -1.07012
   D98        1.09413   0.00001  -0.00003   0.00048   0.00045   1.09458
   D99       -3.13210   0.00001  -0.00008   0.00049   0.00042  -3.13169
   D100       3.02195   0.00000  -0.00013   0.00049   0.00036   3.02231
   D101      -1.09653   0.00000  -0.00011   0.00048   0.00037  -1.09616
   D102       0.96041   0.00000  -0.00015   0.00049   0.00034   0.96075
   D103       0.90641   0.00000  -0.00011   0.00052   0.00040   0.90681
   D104       3.07111   0.00000  -0.00010   0.00050   0.00041   3.07151
   D105      -1.15513   0.00000  -0.00014   0.00051   0.00037  -1.15476
   D106      -1.06332   0.00000   0.00012   0.00008   0.00019  -1.06313
   D107       3.13137   0.00000   0.00011   0.00008   0.00019   3.13156
   D108       1.04611   0.00000   0.00011   0.00008   0.00019   1.04630
   D109       1.06872   0.00000   0.00012   0.00005   0.00018   1.06889
   D110      -1.01978   0.00000   0.00012   0.00006   0.00018  -1.01960
   D111      -3.10503   0.00000   0.00012   0.00006   0.00017  -3.10486
   D112      -3.12593   0.00000   0.00016   0.00005   0.00021  -3.12572
   D113       1.06876   0.00000   0.00016   0.00005   0.00021   1.06897
   D114      -1.01649   0.00000   0.00015   0.00005   0.00021  -1.01629
   D115       0.90832   0.00000   0.00013   0.00014   0.00027   0.90859
   D116      -1.19674   0.00000   0.00014   0.00015   0.00028  -1.19646
   D117       2.99662   0.00000   0.00015   0.00015   0.00030   2.99691
   D118      -1.20111   0.00000   0.00015   0.00013   0.00028  -1.20084
   D119       2.97701   0.00000   0.00015   0.00014   0.00029   2.97730
   D120       0.88718   0.00000   0.00017   0.00014   0.00030   0.88749
   D121       3.00408   0.00000   0.00012   0.00012   0.00024   3.00432
   D122       0.89902   0.00000   0.00012   0.00013   0.00026   0.89927
   D123      -1.19081   0.00000   0.00014   0.00013   0.00027  -1.19054
   D124      -1.03509   0.00000   0.00012   0.00000   0.00011  -1.03498
   D125       1.11312   0.00000   0.00014  -0.00001   0.00013   1.11325
   D126      -3.13716   0.00000   0.00014  -0.00003   0.00012  -3.13704
   D127       3.08885   0.00000   0.00010   0.00003   0.00014   3.08898
   D128      -1.04613   0.00000   0.00012   0.00003   0.00015  -1.04597
   D129       0.98678   0.00000   0.00013   0.00001   0.00014   0.98692
   D130       1.03914   0.00000   0.00013   0.00001   0.00015   1.03929
   D131      -3.09583   0.00000   0.00015   0.00001   0.00016  -3.09567
   D132      -1.06293   0.00000   0.00016  -0.00001   0.00015  -1.06278
   D133      -1.55248   0.00000  -0.00011   0.00013   0.00001  -1.55246
   D134       1.60097   0.00000  -0.00010   0.00012   0.00002   1.60099
   D135       2.58903   0.00000  -0.00010   0.00012   0.00002   2.58905
   D136      -0.54071   0.00000  -0.00008   0.00011   0.00002  -0.54068
   D137       0.53271   0.00000  -0.00010   0.00013   0.00003   0.53274
   D138      -2.59703   0.00000  -0.00008   0.00012   0.00003  -2.59699
   D139       0.72307   0.00000   0.00018   0.00005   0.00023   0.72330
   D140       2.82195   0.00000   0.00017   0.00007   0.00024   2.82218
   D141      -1.40502   0.00000   0.00019   0.00005   0.00024  -1.40478
   D142      -1.37907   0.00000   0.00020   0.00002   0.00022  -1.37884
   D143       0.71981   0.00000   0.00018   0.00005   0.00023   0.72005
   D144       2.77603   0.00000   0.00020   0.00003   0.00024   2.77627
   D145       2.85167   0.00000   0.00018   0.00003   0.00021   2.85188
   D146      -1.33263   0.00000   0.00016   0.00005   0.00022  -1.33242
   D147       0.72359   0.00000   0.00018   0.00004   0.00022   0.72381
   D148      -0.83427   0.00000   0.00002   0.00000   0.00003  -0.83424
   D149      -2.96784   0.00000   0.00002   0.00001   0.00002  -2.96781
   D150       1.26286   0.00000   0.00000  -0.00002  -0.00002   1.26284
   D151      -2.92997   0.00000   0.00004  -0.00002   0.00002  -2.92995
   D152       1.21964   0.00000   0.00003  -0.00001   0.00002   1.21966
   D153      -0.83285   0.00000   0.00002  -0.00004  -0.00002  -0.83287
   D154       1.28729   0.00000   0.00005  -0.00001   0.00004   1.28732
   D155      -0.84629   0.00000   0.00004  -0.00001   0.00003  -0.84626
   D156      -2.89877   0.00000   0.00002  -0.00004  -0.00001  -2.89879
   D157      -1.27246   0.00000  -0.00033  -0.00060  -0.00093  -1.27340
   D158       1.88336   0.00000  -0.00034  -0.00060  -0.00094   1.88242
   D159       2.87110   0.00000  -0.00032  -0.00061  -0.00093   2.87017
   D160      -0.25626   0.00000  -0.00033  -0.00061  -0.00094  -0.25720
   D161       0.81395   0.00000  -0.00036  -0.00062  -0.00098   0.81298
   D162      -2.31341   0.00000  -0.00038  -0.00061  -0.00099  -2.31439
   D163      -3.12975   0.00000   0.00002   0.00000   0.00002  -3.12973
   D164       0.01038   0.00000   0.00001   0.00001   0.00002   0.01041
   D165       0.00015   0.00000   0.00001   0.00001   0.00001   0.00017
   D166       3.14028   0.00000  -0.00001   0.00002   0.00002   3.14030
   D167       3.13057   0.00000  -0.00002  -0.00001  -0.00002   3.13055
   D168      -0.01673   0.00000  -0.00006  -0.00002  -0.00007  -0.01680
   D169       0.00075   0.00000   0.00000  -0.00002  -0.00002   0.00073
   D170       3.13664   0.00000  -0.00004  -0.00003  -0.00007   3.13657
   D171      -3.12627   0.00000  -0.00001   0.00000  -0.00001  -3.12628
   D172       0.02182   0.00000  -0.00001  -0.00001  -0.00001   0.02180
   D173       0.00127   0.00000   0.00000  -0.00001   0.00000   0.00127
   D174      -3.13383   0.00000   0.00001  -0.00001  -0.00001  -3.13384
   D175       3.12472   0.00000   0.00002   0.00001   0.00003   3.12475
   D176      -0.02021   0.00000   0.00004   0.00001   0.00005  -0.02016
   D177      -0.00278   0.00000   0.00001   0.00001   0.00003  -0.00275
   D178       3.13548   0.00000   0.00003   0.00002   0.00005   3.13552
   D179       2.69003   0.00000  -0.00044  -0.00040  -0.00085   2.68918
   D180       0.64564   0.00000  -0.00042  -0.00040  -0.00082   0.64482
   D181      -1.43790   0.00000  -0.00044  -0.00043  -0.00086  -1.43876
   D182      -0.51412   0.00000  -0.00057  -0.00058  -0.00115  -0.51527
   D183      -2.55851   0.00000  -0.00055  -0.00057  -0.00112  -2.55963
   D184       1.64113   0.00001  -0.00057  -0.00060  -0.00116   1.63997
   D185      -0.00031   0.00000  -0.00001   0.00001   0.00000  -0.00031
   D186       3.14062   0.00000  -0.00004   0.00002  -0.00002   3.14060
   D187      -3.14044   0.00000   0.00000  -0.00001  -0.00001  -3.14044
   D188       0.00050   0.00000  -0.00003   0.00001  -0.00002   0.00047
   D189      -0.00151   0.00000   0.00000   0.00001   0.00001  -0.00149
   D190       3.13786   0.00000  -0.00001   0.00002   0.00001   3.13787
   D191      -3.13744   0.00000   0.00004   0.00002   0.00006  -3.13738
   D192       0.00192   0.00000   0.00003   0.00003   0.00006   0.00198
   D193       0.00126   0.00000  -0.00001   0.00000  -0.00002   0.00124
   D194      -3.13822   0.00000  -0.00001  -0.00002  -0.00003  -3.13825
   D195       3.13634   0.00000  -0.00002   0.00000  -0.00002   3.13632
   D196      -0.00314   0.00000  -0.00001  -0.00001  -0.00003  -0.00316
   D197       0.00177   0.00000  -0.00002  -0.00001  -0.00003   0.00174
   D198      -3.14042   0.00000  -0.00002  -0.00002  -0.00004  -3.14046
   D199      -3.13649   0.00000  -0.00004  -0.00001  -0.00005  -3.13653
   D200       0.00451   0.00000  -0.00004  -0.00002  -0.00006   0.00445
   D201      -0.00044   0.00000   0.00001  -0.00001   0.00000  -0.00044
   D202       3.14111   0.00000  -0.00001   0.00000  -0.00001   3.14111
   D203      -3.14137   0.00000   0.00004  -0.00003   0.00002  -3.14135
   D204       0.00018   0.00000   0.00002  -0.00001   0.00001   0.00019
   D205       0.00134   0.00000   0.00000   0.00000   0.00000   0.00134
   D206      -3.14021   0.00000   0.00002  -0.00001   0.00000  -3.14020
   D207      -3.13801   0.00000   0.00001  -0.00001   0.00000  -3.13801
   D208       0.00362   0.00000   0.00003  -0.00003   0.00000   0.00363
   D209      -0.00229   0.00000   0.00001   0.00001   0.00001  -0.00227
   D210       3.14048   0.00000   0.00001  -0.00001   0.00001   3.14049
   D211       3.13719   0.00000   0.00000   0.00002   0.00002   3.13721
   D212      -0.00323   0.00000   0.00001   0.00001   0.00002  -0.00321
   D213       0.00078   0.00000   0.00001   0.00000   0.00001   0.00079
   D214       3.14119   0.00000   0.00000   0.00001   0.00002   3.14121
   D215      -3.14022   0.00000   0.00001   0.00001   0.00002  -3.14020
   D216       0.00020   0.00000   0.00001   0.00002   0.00003   0.00023
   D217      -3.05954   0.00000   0.00012   0.00008   0.00020  -3.05934
   D218       0.07463   0.00000   0.00004   0.00011   0.00016   0.07479
   D219      -0.01530   0.00000   0.00006   0.00005   0.00011  -0.01518
   D220       3.11887   0.00000  -0.00002   0.00009   0.00007   3.11894
   D221       3.06332   0.00000  -0.00013  -0.00007  -0.00020   3.06312
   D222      -0.06913   0.00000  -0.00018  -0.00006  -0.00024  -0.06937
   D223       0.02278   0.00000  -0.00008  -0.00005  -0.00012   0.02266
   D224      -3.10966   0.00000  -0.00012  -0.00004  -0.00016  -3.10982
   D225      -0.00284   0.00000  -0.00001  -0.00001  -0.00002  -0.00287
   D226       3.14036   0.00000  -0.00006   0.00002  -0.00005   3.14031
   D227      -3.13708   0.00000   0.00007  -0.00005   0.00002  -3.13706
   D228       0.00612   0.00000   0.00001  -0.00002  -0.00001   0.00611
   D229      -2.85441   0.00000  -0.00047  -0.00056  -0.00103  -2.85544
   D230       1.33856   0.00000  -0.00052  -0.00054  -0.00106   1.33750
   D231      -0.75318   0.00000  -0.00047  -0.00056  -0.00103  -0.75420
   D232       0.27963   0.00000  -0.00055  -0.00052  -0.00107   0.27856
   D233      -1.81058   0.00000  -0.00060  -0.00050  -0.00110  -1.81168
   D234       2.38086   0.00000  -0.00055  -0.00052  -0.00107   2.37980
   D235      -0.01232   0.00000   0.00004   0.00000   0.00004  -0.01228
   D236       3.13635   0.00000   0.00002   0.00001   0.00003   3.13638
   D237       3.12026   0.00000   0.00008   0.00000   0.00008   3.12034
   D238      -0.01425   0.00000   0.00006   0.00001   0.00006  -0.01418
   D239       2.82325   0.00000   0.00029   0.00035   0.00064   2.82390
   D240       0.72262   0.00000   0.00027   0.00035   0.00062   0.72324
   D241      -1.36592   0.00000   0.00029   0.00034   0.00063  -1.36528
   D242      -0.30906   0.00000   0.00025   0.00036   0.00060  -0.30845
   D243      -2.40969   0.00000   0.00022   0.00035   0.00058  -2.40911
   D244       1.78496   0.00000   0.00025   0.00035   0.00060   1.78555
   D245       0.01309   0.00000  -0.00002  -0.00003  -0.00006   0.01304
   D246      -3.13359   0.00000  -0.00006  -0.00001  -0.00007  -3.13366
   D247      -3.13012   0.00000   0.00003  -0.00006  -0.00003  -3.13015
   D248       0.00638   0.00000  -0.00001  -0.00004  -0.00005   0.00633
   D249      -0.00532   0.00000   0.00001   0.00004   0.00004  -0.00528
   D250       3.14136   0.00000   0.00004   0.00002   0.00006   3.14143
   D251       3.12915   0.00000   0.00003   0.00003   0.00006   3.12921
   D252      -0.00735   0.00000   0.00007   0.00001   0.00008  -0.00727
         Item               Value     Threshold  Converged?
 Maximum Force            0.000047     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.013888     0.001800     NO 
 RMS     Displacement     0.001921     0.001200     NO 
 Predicted change in Energy=-7.541710D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.248753    0.005011   -0.928959
      2          8           0       -2.635950    0.228018   -2.480392
      3          8           0       -3.520122   -2.172396    1.265247
      4          8           0        2.348875    2.302629    2.269505
      5          8           0        3.450662   -0.995027    1.581329
      6          7           0       -2.720912   -2.634081   -0.875003
      7          7           0       -3.206409    0.392878   -0.253098
      8          7           0        2.130650    1.098509    0.319097
      9          7           0       -1.746194   -3.619128    1.114660
     10          6           0       -2.808818    1.765102   -0.041071
     11          6           0       -3.700191   -1.723471   -1.436054
     12          6           0       -1.423068    2.132507   -0.598788
     13          6           0       -0.299873    1.201247   -0.168589
     14          6           0       -4.174803   -2.101397   -2.855601
     15          6           0        1.081791    1.922462   -0.237371
     16          6           0       -2.880387    2.148995    1.452624
     17          6           0       -3.141850   -0.268912   -1.449923
     18          6           0       -1.536052   -2.921108   -1.657874
     19          6           0       -0.281438   -3.200056   -0.834391
     20          6           0        1.381213    2.321463   -1.694783
     21          6           0       -2.678577   -2.758141    0.530739
     22          6           0       -5.286278   -1.158549   -3.276600
     23          6           0       -4.674078   -3.530125   -2.906944
     24          6           0       -0.600722   -4.075019    0.374365
     25          6           0       -4.261194    2.044980    1.996666
     26          6           0        2.652070    3.079819   -1.835810
     27          6           0        2.638097    1.302024    1.580700
     28          6           0       -5.125966    3.144116    1.925973
     29          6           0       -4.706089    0.859568    2.595030
     30          6           0        2.732825    4.408158   -1.399409
     31          6           0        3.774593    2.482299   -2.420251
     32          6           0        3.661529    0.309605    2.132168
     33          6           0       -6.416106    3.059709    2.445792
     34          6           0       -5.998159    0.778358    3.113195
     35          6           0       -6.854379    1.876637    3.040599
     36          6           0        3.917557    5.126429   -1.547308
     37          6           0        4.958505    3.203438   -2.568864
     38          6           0        5.032100    4.526012   -2.133457
     39          6           0        4.618307   -1.659183    1.213368
     40          6           0        4.738627   -2.056833   -0.132261
     41          6           0        5.581061   -2.022333    2.172655
     42          6           0        5.853829   -2.812514   -0.507954
     43          6           0        6.688025   -2.771219    1.758201
     44          6           0        3.708886   -1.696759   -1.133125
     45          6           0        5.436847   -1.639461    3.595657
     46          6           0        6.824759   -3.160354    0.428248
     47          1           0       -3.551061    2.422322   -0.595680
     48          1           0       -4.612633   -1.758204   -0.761477
     49          1           0       -1.491512    2.137588   -1.721613
     50          1           0       -1.188201    3.176211   -0.262930
     51          1           0       -0.472152    0.849474    0.890327
     52          1           0       -3.310621   -1.977962   -3.566956
     53          1           0        1.012230    2.864797    0.385717
     54          1           0       -3.566577   -0.097929    0.540692
     55          1           0       -2.185390    1.499447    2.048810
     56          1           0       -2.516783    3.206945    1.548202
     57          1           0       -1.767158   -3.820458   -2.299488
     58          1           0       -1.325443   -2.045208   -2.341615
     59          1           0        0.466340   -3.724929   -1.480751
     60          1           0        0.171945   -2.227961   -0.499877
     61          1           0        1.405657    1.399660   -2.335573
     62          1           0        0.529352    2.960066   -2.053617
     63          1           0       -6.158093   -1.239481   -2.583648
     64          1           0       -5.629079   -1.418004   -4.307344
     65          1           0       -4.924171   -0.101706   -3.281276
     66          1           0       -5.434592   -3.709390   -2.109045
     67          1           0       -3.838804   -4.257055   -2.767950
     68          1           0       -5.148085   -3.729479   -3.899056
     69          1           0        0.295589   -4.112242    1.056193
     70          1           0       -0.809564   -5.127606    0.022245
     71          1           0        2.246612    0.199705   -0.095246
     72          1           0       -1.678362   -3.565866    2.104877
     73          1           0       -0.513194    0.212263   -1.837161
     74          1           0       -4.783186    4.079142    1.458478
     75          1           0       -4.040706   -0.018330    2.655697
     76          1           0        1.856768    4.882273   -0.932338
     77          1           0        3.723193    1.437376   -2.761164
     78          1           0        3.505380    0.231817    3.242208
     79          1           0        4.688917    0.698760    1.913434
     80          1           0       -7.088347    3.928103    2.386841
     81          1           0       -6.340230   -0.158140    3.578340
     82          1           0       -7.872303    1.810488    3.451095
     83          1           0        3.973396    6.168202   -1.198986
     84          1           0        5.835627    2.726649   -3.030164
     85          1           0        5.966164    5.094058   -2.250620
     86          1           0        5.962200   -3.132292   -1.555470
     87          1           0        7.452627   -3.059028    2.495708
     88          1           0        3.805212   -2.325397   -2.052374
     89          1           0        3.821819   -0.622597   -1.430650
     90          1           0        2.682212   -1.842744   -0.710383
     91          1           0        6.089908   -2.269251    4.248500
     92          1           0        4.375557   -1.765720    3.927355
     93          1           0        5.725852   -0.567600    3.740400
     94          1           0        7.700486   -3.748848    0.116605
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832986      0.0419617      0.0367665
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.8141006775 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893613606     A.U. after   10 cycles
             Convg  =    0.4373D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000001484    0.000006606    0.000002675
      2        8           0.000005045   -0.000005820    0.000003340
      3        8           0.000003199    0.000004365    0.000006389
      4        8           0.000000485    0.000002787    0.000002471
      5        8           0.000007168   -0.000010129   -0.000000123
      6        7           0.000017045   -0.000008145   -0.000005314
      7        7          -0.000003448    0.000004407    0.000002786
      8        7          -0.000012587   -0.000042035    0.000003002
      9        7           0.000010175    0.000011533    0.000009837
     10        6          -0.000009602   -0.000003109    0.000003875
     11        6          -0.000005553    0.000008968    0.000003207
     12        6          -0.000008750    0.000002899    0.000004442
     13        6           0.000004810   -0.000001672   -0.000002463
     14        6          -0.000002867   -0.000004274   -0.000000676
     15        6          -0.000008124    0.000013920   -0.000003208
     16        6           0.000003361   -0.000000026   -0.000005511
     17        6          -0.000007736    0.000004746   -0.000017821
     18        6          -0.000003490    0.000002318    0.000003996
     19        6           0.000005424    0.000001437   -0.000004574
     20        6           0.000008378   -0.000003150   -0.000000330
     21        6          -0.000023600    0.000005575   -0.000009029
     22        6          -0.000004812   -0.000001041    0.000002822
     23        6           0.000000364    0.000004052    0.000006405
     24        6           0.000009063   -0.000009328    0.000007707
     25        6          -0.000002676    0.000000412    0.000002133
     26        6          -0.000000048    0.000001475    0.000002283
     27        6          -0.000002396   -0.000000560   -0.000016736
     28        6          -0.000001225   -0.000000673    0.000000914
     29        6           0.000005663   -0.000000085    0.000002187
     30        6           0.000000889    0.000001421   -0.000001276
     31        6          -0.000003154    0.000003315    0.000001585
     32        6           0.000014854    0.000008869   -0.000000556
     33        6          -0.000001805   -0.000002513   -0.000001249
     34        6          -0.000000418    0.000001023    0.000000627
     35        6           0.000001323    0.000002474    0.000000812
     36        6          -0.000001472    0.000001233   -0.000001301
     37        6           0.000001176   -0.000001477    0.000001172
     38        6           0.000001016   -0.000002257    0.000000036
     39        6           0.000001061    0.000006019   -0.000013694
     40        6           0.000004316   -0.000001044   -0.000000783
     41        6          -0.000006438    0.000000485    0.000003556
     42        6           0.000003763   -0.000000105    0.000002050
     43        6          -0.000003275    0.000003939   -0.000003011
     44        6          -0.000004386   -0.000005719    0.000004723
     45        6          -0.000000846   -0.000000442    0.000000582
     46        6          -0.000002066   -0.000000198    0.000002958
     47        1           0.000002622    0.000002392   -0.000002662
     48        1           0.000001831   -0.000006459    0.000000742
     49        1           0.000002042    0.000003112    0.000000936
     50        1          -0.000000681    0.000000283   -0.000000072
     51        1          -0.000000704   -0.000002561    0.000003624
     52        1          -0.000002626    0.000002048    0.000001609
     53        1           0.000004396   -0.000003384    0.000003193
     54        1           0.000000795    0.000001062   -0.000004021
     55        1          -0.000003837    0.000001768    0.000000648
     56        1           0.000003119    0.000003851    0.000001115
     57        1          -0.000001196   -0.000005298   -0.000001418
     58        1           0.000000024   -0.000000165    0.000002455
     59        1           0.000000211    0.000001845   -0.000000117
     60        1           0.000002869    0.000000782    0.000002496
     61        1           0.000001014   -0.000001784   -0.000003518
     62        1           0.000002174   -0.000006816    0.000000865
     63        1           0.000000172   -0.000001508    0.000000903
     64        1           0.000000386    0.000000252   -0.000001501
     65        1          -0.000000309    0.000001876    0.000001749
     66        1           0.000000302   -0.000000781    0.000001419
     67        1          -0.000001523    0.000001667    0.000000993
     68        1           0.000001421    0.000000762   -0.000001657
     69        1          -0.000001147    0.000002812    0.000001394
     70        1          -0.000003449   -0.000000028   -0.000001428
     71        1           0.000001418    0.000008542    0.000005132
     72        1           0.000005073   -0.000005760   -0.000016075
     73        1          -0.000006492   -0.000003325   -0.000005482
     74        1           0.000001795    0.000000749    0.000000636
     75        1          -0.000003328   -0.000003547    0.000000816
     76        1           0.000001320   -0.000000195    0.000000308
     77        1           0.000000278   -0.000000525   -0.000001209
     78        1           0.000003185   -0.000001167   -0.000001927
     79        1          -0.000000351    0.000006458    0.000004443
     80        1           0.000000984    0.000000862    0.000000976
     81        1          -0.000000255   -0.000001184   -0.000001259
     82        1           0.000000006   -0.000001248   -0.000000173
     83        1           0.000000250    0.000000323    0.000001087
     84        1          -0.000000545    0.000000972   -0.000000997
     85        1          -0.000000408    0.000001341    0.000000484
     86        1           0.000000541    0.000000216   -0.000001421
     87        1          -0.000002030   -0.000000770    0.000000589
     88        1          -0.000000858   -0.000000582   -0.000000991
     89        1           0.000002075    0.000002727    0.000001884
     90        1           0.000002615    0.000001377    0.000002370
     91        1          -0.000001636   -0.000001070   -0.000000175
     92        1           0.000001001   -0.000002665    0.000001109
     93        1          -0.000000192    0.000001788    0.000001777
     94        1          -0.000001641    0.000000476   -0.000000567
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000042035 RMS     0.000005175

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000021316 RMS     0.000004727
 Search for a local minimum.
 Step number  43 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43
 DE= -1.01D-07 DEPred=-7.54D-08 R= 1.33D+00
 Trust test= 1.33D+00 RLast= 6.63D-03 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00047   0.00184   0.00185   0.00215   0.00234
     Eigenvalues ---    0.00238   0.00257   0.00325   0.00355   0.00365
     Eigenvalues ---    0.00407   0.00489   0.00511   0.00547   0.00566
     Eigenvalues ---    0.00600   0.00648   0.00730   0.00805   0.00984
     Eigenvalues ---    0.01166   0.01326   0.01354   0.01405   0.01445
     Eigenvalues ---    0.01465   0.01495   0.01534   0.01711   0.01893
     Eigenvalues ---    0.01994   0.02058   0.02110   0.02118   0.02125
     Eigenvalues ---    0.02146   0.02151   0.02156   0.02159   0.02161
     Eigenvalues ---    0.02170   0.02172   0.02173   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02189   0.02195   0.02289   0.02322   0.02423
     Eigenvalues ---    0.03093   0.03145   0.03394   0.03492   0.03819
     Eigenvalues ---    0.03927   0.03996   0.04055   0.04277   0.04339
     Eigenvalues ---    0.04392   0.04464   0.04627   0.04708   0.04874
     Eigenvalues ---    0.04917   0.05028   0.05057   0.05081   0.05280
     Eigenvalues ---    0.05358   0.05420   0.05441   0.05509   0.05587
     Eigenvalues ---    0.05607   0.05643   0.05661   0.05708   0.05925
     Eigenvalues ---    0.06071   0.06464   0.06885   0.07015   0.07116
     Eigenvalues ---    0.07188   0.07267   0.07387   0.07543   0.07565
     Eigenvalues ---    0.07894   0.08088   0.08335   0.08777   0.09233
     Eigenvalues ---    0.09419   0.09518   0.09756   0.11064   0.11665
     Eigenvalues ---    0.12148   0.12608   0.12880   0.12985   0.14114
     Eigenvalues ---    0.14425   0.15368   0.15772   0.15901   0.15914
     Eigenvalues ---    0.15973   0.15984   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16002   0.16003   0.16006
     Eigenvalues ---    0.16008   0.16011   0.16016   0.16022   0.16037
     Eigenvalues ---    0.16068   0.16200   0.16238   0.16697   0.16941
     Eigenvalues ---    0.17582   0.17824   0.19222   0.19450   0.19751
     Eigenvalues ---    0.20311   0.20707   0.21114   0.21514   0.21952
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22078   0.22166
     Eigenvalues ---    0.22423   0.22725   0.23201   0.23382   0.23474
     Eigenvalues ---    0.23521   0.23639   0.23845   0.23950   0.24680
     Eigenvalues ---    0.24711   0.24891   0.24975   0.25034   0.25238
     Eigenvalues ---    0.25397   0.26047   0.26536   0.26681   0.27335
     Eigenvalues ---    0.27869   0.28137   0.28463   0.28517   0.28766
     Eigenvalues ---    0.29169   0.29422   0.30007   0.30495   0.30702
     Eigenvalues ---    0.30912   0.31280   0.31876   0.32322   0.33088
     Eigenvalues ---    0.33608   0.34240   0.34444   0.34474   0.34538
     Eigenvalues ---    0.34584   0.34644   0.34645   0.34663   0.34698
     Eigenvalues ---    0.34717   0.34729   0.34732   0.34740   0.34748
     Eigenvalues ---    0.34755   0.34764   0.34777   0.34785   0.34792
     Eigenvalues ---    0.34810   0.34820   0.34821   0.34827   0.34840
     Eigenvalues ---    0.34856   0.34879   0.34938   0.34984   0.35100
     Eigenvalues ---    0.35519   0.35830   0.35887   0.35917   0.35938
     Eigenvalues ---    0.35946   0.35976   0.35983   0.35993   0.35997
     Eigenvalues ---    0.36013   0.36035   0.36036   0.36073   0.36246
     Eigenvalues ---    0.36710   0.38804   0.39061   0.40042   0.40669
     Eigenvalues ---    0.41783   0.42273   0.42312   0.42404   0.43165
     Eigenvalues ---    0.43696   0.44914   0.45230   0.45690   0.46001
     Eigenvalues ---    0.46127   0.46169   0.46298   0.46369   0.46519
     Eigenvalues ---    0.46543   0.46765   0.46775   0.46854   0.46943
     Eigenvalues ---    0.47344   0.48005   0.48951   0.51349   0.52523
     Eigenvalues ---    0.54577   0.57895   0.58169   0.59795   0.61314
     Eigenvalues ---    0.66277   0.77712   0.88489   0.91316   0.92309
     Eigenvalues ---    0.961031000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    43   42   41   40   39
 RFO step:  Lambda=-2.20057519D-08.
 DIIS coeffs:      1.00528      0.38130     -0.46278     -0.09543      0.17162
 Iteration  1 RMS(Cart)=  0.00155647 RMS(Int)=  0.00000032
 Iteration  2 RMS(Cart)=  0.00000122 RMS(Int)=  0.00000004
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000004
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68032   0.00000  -0.00001  -0.00002  -0.00003   2.68029
    R2        1.82993   0.00000  -0.00003   0.00000  -0.00003   1.82990
    R3        2.36385   0.00001  -0.00001   0.00001   0.00000   2.36385
    R4        2.38345   0.00000   0.00001   0.00000   0.00002   2.38347
    R5        2.35975   0.00000   0.00001  -0.00001  -0.00001   2.35974
    R6        2.70565   0.00000   0.00000   0.00002   0.00002   2.70566
    R7        2.63201  -0.00001   0.00000   0.00000   0.00000   2.63201
    R8        2.74041   0.00002  -0.00003   0.00003   0.00000   2.74041
    R9        2.73793   0.00001   0.00000  -0.00002  -0.00002   2.73790
   R10        2.66799   0.00001   0.00003   0.00001   0.00005   2.66804
   R11        2.72935   0.00001   0.00001  -0.00003  -0.00003   2.72932
   R12        2.58729   0.00000   0.00001  -0.00002  -0.00001   2.58728
   R13        1.89040   0.00000   0.00003   0.00000   0.00003   1.89044
   R14        2.73107   0.00000  -0.00002   0.00005   0.00003   2.73110
   R15        2.59833   0.00002   0.00001   0.00006   0.00007   2.59840
   R16        1.88308   0.00001   0.00001   0.00003   0.00004   1.88312
   R17        2.63994   0.00002  -0.00003   0.00004   0.00001   2.63995
   R18        2.71752   0.00001   0.00003   0.00000   0.00003   2.71754
   R19        1.87832   0.00001   0.00001   0.00002   0.00003   1.87836
   R20        2.90695   0.00001   0.00000   0.00000   0.00000   2.90695
   R21        2.91754   0.00000   0.00002   0.00001   0.00003   2.91757
   R22        2.14669   0.00000   0.00000  -0.00001   0.00000   2.14669
   R23        2.91729   0.00001   0.00001   0.00001   0.00002   2.91731
   R24        2.94438   0.00001   0.00002   0.00001   0.00003   2.94442
   R25        2.14533  -0.00001   0.00001  -0.00001   0.00000   2.14533
   R26        2.87455   0.00001  -0.00003   0.00004   0.00001   2.87456
   R27        2.12579   0.00000  -0.00002   0.00001  -0.00001   2.12578
   R28        2.11892   0.00000   0.00000   0.00001   0.00001   2.11893
   R29        2.94814   0.00002   0.00001   0.00004   0.00005   2.94819
   R30        2.13357   0.00000   0.00001  -0.00001   0.00000   2.13357
   R31        2.86690   0.00000  -0.00001   0.00001   0.00000   2.86690
   R32        2.86166   0.00001  -0.00003   0.00003   0.00000   2.86166
   R33        2.12800   0.00000   0.00000   0.00000   0.00000   2.12800
   R34        2.91098   0.00000  -0.00001   0.00002   0.00001   2.91099
   R35        2.13888   0.00000  -0.00001   0.00000  -0.00001   2.13886
   R36        2.81146   0.00000   0.00000   0.00000   0.00000   2.81146
   R37        2.12152   0.00000   0.00000   0.00000   0.00000   2.12152
   R38        2.12172   0.00000  -0.00002  -0.00001  -0.00002   2.12169
   R39        2.88454   0.00001  -0.00001   0.00001   0.00000   2.88454
   R40        2.13289   0.00000   0.00001   0.00000   0.00001   2.13289
   R41        2.13720   0.00000  -0.00001   0.00001   0.00000   2.13719
   R42        2.88367   0.00000   0.00001  -0.00003  -0.00002   2.88366
   R43        2.11484   0.00000   0.00000   0.00000   0.00000   2.11484
   R44        2.12325   0.00000   0.00000   0.00000   0.00000   2.12325
   R45        2.80933  -0.00001  -0.00001  -0.00001  -0.00001   2.80931
   R46        2.12199   0.00000  -0.00001   0.00000   0.00000   2.12199
   R47        2.12310   0.00000   0.00000   0.00000   0.00000   2.12310
   R48        2.11007   0.00000   0.00000   0.00000   0.00000   2.11007
   R49        2.11046   0.00000   0.00000   0.00000   0.00000   2.11047
   R50        2.11114   0.00000   0.00000   0.00000   0.00000   2.11114
   R51        2.11038   0.00000   0.00000   0.00000   0.00001   2.11038
   R52        2.10891   0.00000   0.00000   0.00000   0.00001   2.10892
   R53        2.11169   0.00000   0.00001   0.00000   0.00001   2.11169
   R54        2.12932   0.00000  -0.00001   0.00000  -0.00001   2.12931
   R55        2.13425   0.00000  -0.00001   0.00000  -0.00001   2.13424
   R56        2.64624   0.00000   0.00000   0.00000   0.00000   2.64624
   R57        2.64641   0.00000   0.00000   0.00000   0.00000   2.64641
   R58        2.64660   0.00000   0.00000   0.00000   0.00000   2.64660
   R59        2.64471   0.00000   0.00000   0.00000   0.00000   2.64471
   R60        2.88852   0.00002   0.00000   0.00003   0.00003   2.88855
   R61        2.63330   0.00000  -0.00001   0.00000  -0.00001   2.63330
   R62        2.07898   0.00000   0.00000   0.00000   0.00000   2.07897
   R63        2.63516   0.00000   0.00001   0.00000   0.00001   2.63517
   R64        2.08481   0.00000   0.00001   0.00000   0.00001   2.08481
   R65        2.63302   0.00000   0.00000   0.00000   0.00000   2.63302
   R66        2.07906   0.00000   0.00000   0.00000   0.00000   2.07906
   R67        2.63464   0.00000   0.00000   0.00000   0.00000   2.63464
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12342   0.00000   0.00000   0.00001   0.00001   2.12343
   R70        2.11684  -0.00001   0.00001  -0.00001  -0.00001   2.11683
   R71        2.63584   0.00000   0.00001   0.00001   0.00001   2.63585
   R72        2.07826   0.00000   0.00000   0.00000   0.00000   2.07826
   R73        2.63520   0.00000  -0.00001   0.00000  -0.00001   2.63519
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07789
   R76        2.63634   0.00000   0.00000   0.00000   0.00000   2.63634
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63493   0.00000   0.00000   0.00000   0.00000   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07774   0.00000   0.00000   0.00000   0.00000   2.07774
   R81        2.66131   0.00001  -0.00003   0.00002  -0.00001   2.66130
   R82        2.65841  -0.00001   0.00001  -0.00001   0.00001   2.65842
   R83        2.64283   0.00000   0.00001   0.00001   0.00003   2.64286
   R84        2.79766   0.00000   0.00000   0.00000   0.00000   2.79765
   R85        2.64425  -0.00001  -0.00002   0.00000  -0.00002   2.64423
   R86        2.79802   0.00000   0.00000  -0.00003  -0.00002   2.79800
   R87        2.63220  -0.00001  -0.00002   0.00001  -0.00001   2.63219
   R88        2.07981   0.00000   0.00000   0.00000   0.00000   2.07981
   R89        2.63134   0.00000   0.00002   0.00001   0.00003   2.63137
   R90        2.07987   0.00000   0.00000   0.00000   0.00000   2.07987
   R91        2.11234   0.00000  -0.00001   0.00000   0.00000   2.11234
   R92        2.11708   0.00000   0.00001  -0.00001   0.00000   2.11709
   R93        2.11622   0.00000  -0.00001   0.00001   0.00000   2.11623
   R94        2.11221   0.00000   0.00000   0.00000   0.00000   2.11221
   R95        2.11472   0.00000   0.00000   0.00000   0.00000   2.11472
   R96        2.11562   0.00000   0.00000   0.00000   0.00000   2.11562
   R97        2.07899   0.00000   0.00000   0.00000   0.00000   2.07899
    A1        1.88856  -0.00002   0.00007  -0.00009  -0.00003   1.88853
    A2        1.99619  -0.00001  -0.00003   0.00001  -0.00002   1.99617
    A3        2.05736   0.00000   0.00003  -0.00001   0.00002   2.05738
    A4        2.04952   0.00000   0.00001   0.00001   0.00002   2.04954
    A5        2.08987   0.00000  -0.00002   0.00001  -0.00001   2.08986
    A6        2.18289   0.00001   0.00008   0.00000   0.00008   2.18297
    A7        2.03618  -0.00001  -0.00003  -0.00002  -0.00005   2.03613
    A8        2.06402   0.00000  -0.00005   0.00001  -0.00003   2.06398
    A9        2.13737   0.00000  -0.00007  -0.00004  -0.00011   2.13727
   A10        2.02483   0.00000  -0.00002  -0.00011  -0.00013   2.02469
   A11        2.06244   0.00000  -0.00005  -0.00011  -0.00016   2.06228
   A12        2.10812   0.00000   0.00000  -0.00002  -0.00002   2.10810
   A13        2.01410   0.00000  -0.00002  -0.00003  -0.00005   2.01405
   A14        2.06630   0.00000  -0.00009  -0.00006  -0.00015   2.06615
   A15        2.00609   0.00002  -0.00001   0.00002   0.00001   2.00610
   A16        1.94498  -0.00002  -0.00002  -0.00005  -0.00007   1.94491
   A17        1.87353   0.00000   0.00002   0.00001   0.00003   1.87357
   A18        1.91043   0.00001   0.00001   0.00002   0.00003   1.91045
   A19        1.84774  -0.00001   0.00003   0.00001   0.00004   1.84778
   A20        1.87360   0.00000  -0.00003  -0.00001  -0.00004   1.87356
   A21        1.99286   0.00000   0.00001   0.00001   0.00003   1.99289
   A22        1.92587   0.00001  -0.00002  -0.00002  -0.00004   1.92583
   A23        1.86884   0.00000   0.00002   0.00002   0.00004   1.86887
   A24        1.90766   0.00000   0.00001  -0.00001   0.00000   1.90766
   A25        1.86691   0.00000   0.00000   0.00000   0.00000   1.86692
   A26        1.89850   0.00000  -0.00003   0.00000  -0.00003   1.89846
   A27        2.00029   0.00001  -0.00006   0.00004  -0.00002   2.00027
   A28        1.88404   0.00000   0.00003   0.00000   0.00003   1.88407
   A29        1.87802  -0.00001   0.00002  -0.00003  -0.00001   1.87800
   A30        1.90708  -0.00001   0.00003  -0.00002   0.00002   1.90709
   A31        1.90760   0.00000  -0.00002   0.00001  -0.00002   1.90759
   A32        1.88337   0.00000  -0.00001   0.00001   0.00000   1.88338
   A33        1.97287  -0.00001   0.00006  -0.00001   0.00005   1.97293
   A34        1.91170   0.00000  -0.00002   0.00000  -0.00002   1.91168
   A35        1.81885   0.00000   0.00002  -0.00007  -0.00004   1.81881
   A36        1.93740   0.00002  -0.00003   0.00006   0.00003   1.93744
   A37        1.92125   0.00000  -0.00002   0.00001  -0.00001   1.92124
   A38        1.89708  -0.00001   0.00000  -0.00001  -0.00002   1.89706
   A39        1.90527   0.00000  -0.00002   0.00002   0.00000   1.90527
   A40        1.94283   0.00000   0.00001   0.00000   0.00001   1.94284
   A41        1.89453   0.00000   0.00000   0.00001   0.00001   1.89454
   A42        1.91282   0.00000   0.00000   0.00000   0.00000   1.91282
   A43        1.89527   0.00000   0.00000  -0.00002  -0.00002   1.89526
   A44        1.91242   0.00000   0.00001  -0.00002   0.00000   1.91242
   A45        1.94143   0.00000   0.00001   0.00003   0.00004   1.94146
   A46        1.95077  -0.00002  -0.00001  -0.00005  -0.00006   1.95071
   A47        1.88315   0.00000  -0.00001  -0.00003  -0.00004   1.88311
   A48        1.91092   0.00002  -0.00002   0.00003   0.00001   1.91093
   A49        1.88198   0.00000   0.00003   0.00002   0.00005   1.88203
   A50        1.89350   0.00000   0.00000   0.00000   0.00000   1.89351
   A51        1.95997  -0.00001  -0.00008  -0.00002  -0.00011   1.95987
   A52        1.91901   0.00000   0.00002   0.00001   0.00003   1.91904
   A53        1.87721   0.00001   0.00005   0.00001   0.00006   1.87727
   A54        1.91762   0.00000   0.00001  -0.00001   0.00000   1.91762
   A55        1.91273   0.00000   0.00002   0.00002   0.00004   1.91277
   A56        1.87496   0.00000  -0.00002   0.00000  -0.00001   1.87494
   A57        2.14976   0.00000  -0.00001   0.00001   0.00000   2.14976
   A58        2.12130  -0.00001   0.00003  -0.00002   0.00001   2.12131
   A59        2.01149   0.00001  -0.00002   0.00001  -0.00002   2.01147
   A60        2.00079   0.00000   0.00000   0.00000   0.00000   2.00079
   A61        1.87294   0.00000   0.00001   0.00002   0.00002   1.87297
   A62        1.90237   0.00000   0.00000   0.00000   0.00000   1.90238
   A63        1.90642   0.00000  -0.00001   0.00000  -0.00001   1.90641
   A64        1.89086   0.00000  -0.00002   0.00001  -0.00001   1.89085
   A65        1.88764   0.00000   0.00002  -0.00002  -0.00001   1.88764
   A66        1.93922   0.00000  -0.00001   0.00001   0.00001   1.93922
   A67        1.90003   0.00000   0.00000  -0.00001  -0.00001   1.90002
   A68        1.91152   0.00000   0.00001   0.00000   0.00001   1.91153
   A69        1.90539   0.00000   0.00000  -0.00002  -0.00001   1.90538
   A70        1.92269   0.00000  -0.00001   0.00001   0.00001   1.92269
   A71        1.88399   0.00000   0.00000   0.00000   0.00000   1.88399
   A72        1.96931   0.00000  -0.00001  -0.00001  -0.00002   1.96929
   A73        1.90869   0.00000  -0.00002   0.00000  -0.00002   1.90867
   A74        1.87761   0.00001  -0.00001   0.00002   0.00001   1.87763
   A75        1.92412   0.00000   0.00001  -0.00003  -0.00002   1.92410
   A76        1.90490   0.00000   0.00000   0.00001   0.00001   1.90490
   A77        1.87638   0.00000   0.00003   0.00000   0.00003   1.87642
   A78        2.11651   0.00000  -0.00005   0.00002  -0.00004   2.11647
   A79        2.08073   0.00000   0.00004   0.00000   0.00004   2.08077
   A80        2.08328  -0.00001   0.00002  -0.00002   0.00000   2.08328
   A81        1.93346   0.00000   0.00000   0.00000   0.00000   1.93346
   A82        1.91412   0.00000   0.00000   0.00000   0.00000   1.91412
   A83        1.93009   0.00000  -0.00002   0.00000  -0.00002   1.93008
   A84        1.89259   0.00000  -0.00001   0.00000  -0.00001   1.89259
   A85        1.90100   0.00000   0.00001   0.00000   0.00001   1.90101
   A86        1.89168   0.00000   0.00001   0.00000   0.00001   1.89169
   A87        1.93024   0.00000   0.00000   0.00000   0.00000   1.93024
   A88        1.94289   0.00000   0.00003  -0.00001   0.00003   1.94292
   A89        1.91588   0.00000   0.00000   0.00001   0.00000   1.91588
   A90        1.89247   0.00000  -0.00001   0.00000  -0.00001   1.89246
   A91        1.89318   0.00000   0.00000   0.00000   0.00000   1.89318
   A92        1.88794   0.00000  -0.00002   0.00000  -0.00002   1.88792
   A93        1.97433   0.00000   0.00000   0.00002   0.00002   1.97435
   A94        1.90984   0.00000   0.00001  -0.00001   0.00000   1.90984
   A95        1.88459   0.00000  -0.00002  -0.00003  -0.00005   1.88454
   A96        1.90903   0.00000  -0.00001   0.00000  -0.00001   1.90902
   A97        1.90298   0.00000   0.00000   0.00001   0.00001   1.90299
   A98        1.88070   0.00000   0.00002   0.00001   0.00004   1.88073
   A99        2.09418   0.00001   0.00000   0.00001   0.00001   2.09419
   A100       2.10630  -0.00001  -0.00002  -0.00001  -0.00003   2.10627
   A101       2.08264   0.00000   0.00001   0.00001   0.00002   2.08266
   A102       2.09851   0.00000  -0.00002   0.00000  -0.00001   2.09850
   A103       2.10306   0.00000   0.00002  -0.00001   0.00001   2.10307
   A104       2.08153   0.00000   0.00000   0.00000   0.00000   2.08153
   A105       2.14034  -0.00001  -0.00001   0.00002   0.00002   2.14036
   A106       2.06726   0.00000  -0.00001   0.00003   0.00002   2.06728
   A107       2.07377   0.00001   0.00002  -0.00005  -0.00004   2.07374
   A108       2.10061   0.00000  -0.00001   0.00000  -0.00001   2.10060
   A109       2.08995   0.00000  -0.00001  -0.00001  -0.00002   2.08993
   A110       2.09263   0.00000   0.00002   0.00001   0.00003   2.09266
   A111       2.09720   0.00000  -0.00001   0.00000  -0.00001   2.09718
   A112       2.10072   0.00000   0.00000  -0.00001  -0.00001   2.10071
   A113       2.08525   0.00000   0.00001   0.00001   0.00003   2.08527
   A114       2.10005   0.00000   0.00000   0.00000   0.00000   2.10005
   A115       2.08875   0.00000   0.00000   0.00000   0.00000   2.08875
   A116       2.09437   0.00000   0.00000   0.00000   0.00000   2.09437
   A117       2.09992   0.00000   0.00000   0.00000   0.00000   2.09992
   A118       2.09135   0.00000  -0.00001   0.00000  -0.00001   2.09134
   A119       2.09190   0.00000   0.00001   0.00000   0.00001   2.09192
   A120       1.93285   0.00001   0.00000  -0.00012  -0.00012   1.93273
   A121       1.87184   0.00000  -0.00002   0.00009   0.00007   1.87191
   A122       1.95682  -0.00001   0.00000  -0.00004  -0.00004   1.95678
   A123       1.88421   0.00000   0.00001   0.00002   0.00003   1.88424
   A124       1.89450   0.00000   0.00001   0.00004   0.00005   1.89455
   A125       1.92240   0.00000   0.00001   0.00000   0.00001   1.92241
   A126       2.09597   0.00000   0.00000   0.00000   0.00000   2.09597
   A127       2.09220   0.00000   0.00001   0.00001   0.00002   2.09222
   A128       2.09501   0.00000  -0.00001  -0.00001  -0.00002   2.09500
   A129       2.09868   0.00000   0.00000   0.00000   0.00000   2.09868
   A130       2.08836   0.00000  -0.00001   0.00000  -0.00001   2.08836
   A131       2.09614   0.00000   0.00001   0.00000   0.00001   2.09615
   A132       2.09127   0.00000   0.00001   0.00000   0.00001   2.09128
   A133       2.09568   0.00000  -0.00001  -0.00001  -0.00002   2.09566
   A134       2.09624   0.00000   0.00001   0.00000   0.00001   2.09625
   A135       2.09674   0.00000   0.00000   0.00000   0.00000   2.09674
   A136       2.09188   0.00000   0.00000   0.00000   0.00000   2.09188
   A137       2.09456   0.00000   0.00000   0.00000   0.00000   2.09456
   A138       2.09689   0.00000   0.00000   0.00000   0.00000   2.09689
   A139       2.09178   0.00000   0.00001   0.00000   0.00001   2.09178
   A140       2.09452   0.00000  -0.00001   0.00000  -0.00001   2.09452
   A141       2.09123   0.00000   0.00000   0.00000   0.00000   2.09123
   A142       2.09569   0.00000   0.00000   0.00000   0.00000   2.09569
   A143       2.09626   0.00000  -0.00001   0.00000  -0.00001   2.09626
   A144       2.04733   0.00002   0.00003   0.00001   0.00004   2.04737
   A145       2.11377  -0.00002  -0.00004  -0.00001  -0.00005   2.11372
   A146       2.11788   0.00000   0.00000   0.00000   0.00000   2.11788
   A147       2.06847   0.00000   0.00000   0.00000   0.00000   2.06847
   A148       2.11515   0.00001  -0.00001  -0.00001  -0.00002   2.11513
   A149       2.09955  -0.00001   0.00001   0.00000   0.00001   2.09956
   A150       2.06870   0.00000   0.00000   0.00000   0.00000   2.06871
   A151       2.11993   0.00000  -0.00003  -0.00001  -0.00003   2.11990
   A152       2.09452   0.00000   0.00002   0.00001   0.00003   2.09455
   A153       2.10624   0.00000   0.00000  -0.00001  -0.00001   2.10623
   A154       2.08426   0.00000  -0.00002   0.00001  -0.00001   2.08425
   A155       2.09269   0.00000   0.00002  -0.00001   0.00002   2.09270
   A156       2.10616   0.00000  -0.00001   0.00000   0.00000   2.10615
   A157       2.08410   0.00000   0.00003   0.00000   0.00002   2.08412
   A158       2.09291   0.00000  -0.00002   0.00000  -0.00002   2.09289
   A159       1.93825   0.00000   0.00001   0.00001   0.00002   1.93828
   A160       1.92051   0.00000  -0.00001   0.00001   0.00000   1.92050
   A161       1.92918   0.00000  -0.00001  -0.00003  -0.00004   1.92915
   A162       1.88823   0.00000   0.00002   0.00000   0.00002   1.88826
   A163       1.89245   0.00000   0.00000   0.00000   0.00001   1.89246
   A164       1.89406   0.00000  -0.00002   0.00000  -0.00001   1.89404
   A165       1.93770   0.00000   0.00002   0.00001   0.00002   1.93773
   A166       1.92630   0.00000  -0.00001  -0.00002  -0.00002   1.92628
   A167       1.92483   0.00000  -0.00001  -0.00002  -0.00002   1.92481
   A168       1.89380   0.00000   0.00001   0.00001   0.00002   1.89382
   A169       1.88927   0.00000   0.00000   0.00001   0.00000   1.88927
   A170       1.89075   0.00000   0.00000   0.00000   0.00000   1.89075
   A171       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A172       2.09214   0.00000   0.00003  -0.00001   0.00002   2.09216
   A173       2.09233   0.00000  -0.00003   0.00001  -0.00002   2.09231
    D1        0.60265   0.00001  -0.00024   0.00031   0.00007   0.60273
    D2       -1.56755  -0.00001  -0.00022   0.00023   0.00001  -1.56755
    D3        2.68848   0.00000  -0.00022   0.00028   0.00006   2.68853
    D4        2.40226   0.00001   0.00009   0.00065   0.00074   2.40300
    D5       -1.82898   0.00001   0.00009   0.00067   0.00076  -1.82822
    D6        0.28335   0.00000   0.00009   0.00071   0.00080   0.28414
    D7       -2.12073  -0.00001   0.00020   0.00021   0.00041  -2.12032
    D8        1.11805  -0.00001   0.00023   0.00018   0.00041   1.11846
    D9        0.92472   0.00000   0.00017  -0.00002   0.00014   0.92486
   D10       -1.23196   0.00000   0.00016  -0.00001   0.00015  -1.23180
   D11        2.98772   0.00000   0.00019   0.00000   0.00019   2.98791
   D12       -2.65199   0.00000   0.00022   0.00000   0.00021  -2.65178
   D13        1.47452   0.00000   0.00021   0.00001   0.00022   1.47474
   D14       -0.58899   0.00000   0.00024   0.00002   0.00026  -0.58872
   D15        2.58827   0.00001  -0.00006   0.00008   0.00002   2.58829
   D16       -1.57436   0.00000  -0.00006   0.00008   0.00003  -1.57433
   D17        0.46597   0.00000  -0.00003   0.00007   0.00003   0.46600
   D18       -0.10785   0.00000  -0.00012   0.00006  -0.00006  -0.10790
   D19        2.01271   0.00000  -0.00012   0.00006  -0.00005   2.01266
   D20       -2.23015   0.00000  -0.00009   0.00005  -0.00005  -2.23019
   D21        0.08449   0.00000  -0.00011   0.00005  -0.00006   0.08442
   D22       -3.13605   0.00000   0.00001  -0.00010  -0.00009  -3.13614
   D23        2.78256   0.00000  -0.00005   0.00006   0.00001   2.78257
   D24       -0.43797   0.00000   0.00007  -0.00008  -0.00001  -0.43799
   D25       -0.85633   0.00000  -0.00007   0.00020   0.00014  -0.85619
   D26       -3.04257   0.00000  -0.00005   0.00020   0.00015  -3.04242
   D27        1.19376   0.00000  -0.00002   0.00023   0.00022   1.19398
   D28        2.30014   0.00000   0.00023   0.00025   0.00048   2.30061
   D29        0.11389   0.00000   0.00025   0.00024   0.00049   0.11439
   D30       -1.93296   0.00001   0.00028   0.00027   0.00056  -1.93240
   D31        0.09110   0.00001   0.00014   0.00005   0.00019   0.09129
   D32       -3.08821   0.00001   0.00010  -0.00007   0.00003  -3.08819
   D33       -3.06558   0.00000  -0.00016   0.00000  -0.00016  -3.06574
   D34        0.03829   0.00001  -0.00020  -0.00012  -0.00032   0.03797
   D35       -1.77620   0.00001   0.00054   0.00059   0.00112  -1.77508
   D36        2.36505   0.00000   0.00056   0.00056   0.00112   2.36617
   D37        0.28465   0.00001   0.00057   0.00061   0.00118   0.28583
   D38        0.99738   0.00000   0.00011  -0.00023  -0.00012   0.99726
   D39       -1.14456  -0.00001   0.00014  -0.00026  -0.00012  -1.14467
   D40        3.05823   0.00000   0.00015  -0.00021  -0.00006   3.05817
   D41       -0.15550  -0.00001  -0.00052  -0.00049  -0.00101  -0.15651
   D42        3.05173  -0.00001  -0.00049  -0.00048  -0.00097   3.05077
   D43       -2.92158   0.00000  -0.00010   0.00035   0.00025  -2.92132
   D44        0.28565   0.00000  -0.00006   0.00035   0.00029   0.28595
   D45       -2.90361  -0.00001   0.00014  -0.00006   0.00008  -2.90353
   D46        0.31529   0.00000   0.00002   0.00008   0.00011   0.31540
   D47       -0.22304  -0.00001  -0.00014  -0.00033  -0.00047  -0.22351
   D48        2.99586   0.00000  -0.00025  -0.00019  -0.00044   2.99542
   D49        0.33633   0.00000  -0.00006  -0.00006  -0.00012   0.33621
   D50        2.46946   0.00000  -0.00007  -0.00005  -0.00012   2.46934
   D51       -1.77122   0.00000  -0.00005  -0.00006  -0.00011  -1.77132
   D52       -2.33087   0.00000   0.00020   0.00022   0.00042  -2.33045
   D53       -0.19774   0.00000   0.00019   0.00023   0.00042  -0.19732
   D54        1.84477   0.00000   0.00021   0.00022   0.00043   1.84520
   D55       -0.89998   0.00001  -0.00003  -0.00011  -0.00014  -0.90011
   D56        1.22926   0.00001   0.00000  -0.00011  -0.00011   1.22915
   D57       -3.02543   0.00000   0.00002  -0.00012  -0.00009  -3.02553
   D58        1.30415   0.00000  -0.00006  -0.00014  -0.00020   1.30394
   D59       -2.84980   0.00000  -0.00003  -0.00014  -0.00017  -2.84998
   D60       -0.82131   0.00000  -0.00001  -0.00015  -0.00016  -0.82147
   D61       -2.96461   0.00000  -0.00007  -0.00014  -0.00021  -2.96482
   D62       -0.83538   0.00000  -0.00004  -0.00014  -0.00018  -0.83556
   D63        1.19312   0.00000  -0.00002  -0.00015  -0.00017   1.19295
   D64       -1.07867   0.00001  -0.00027  -0.00005  -0.00032  -1.07899
   D65        1.06222   0.00000  -0.00029  -0.00008  -0.00037   1.06184
   D66        3.09869   0.00001  -0.00027  -0.00006  -0.00034   3.09835
   D67        2.96598   0.00000  -0.00024  -0.00005  -0.00029   2.96569
   D68       -1.17632  -0.00001  -0.00027  -0.00008  -0.00035  -1.17667
   D69        0.86015   0.00000  -0.00025  -0.00006  -0.00031   0.85984
   D70        0.96814   0.00000  -0.00027  -0.00007  -0.00034   0.96780
   D71        3.10903   0.00000  -0.00029  -0.00010  -0.00039   3.10864
   D72       -1.13769   0.00000  -0.00027  -0.00008  -0.00035  -1.13804
   D73        3.04747   0.00000  -0.00003   0.00006   0.00002   3.04750
   D74        0.93362   0.00000  -0.00002   0.00004   0.00002   0.93364
   D75       -1.17266   0.00000  -0.00005   0.00005   0.00001  -1.17265
   D76       -1.06925   0.00000  -0.00004   0.00003  -0.00001  -1.06926
   D77        3.10009   0.00001  -0.00003   0.00002  -0.00002   3.10007
   D78        0.99381   0.00000  -0.00006   0.00003  -0.00003   0.99378
   D79        0.98337   0.00000  -0.00007   0.00003  -0.00005   0.98332
   D80       -1.13048   0.00000  -0.00006   0.00001  -0.00005  -1.13053
   D81        3.04643   0.00000  -0.00009   0.00002  -0.00006   3.04637
   D82        1.71292   0.00000   0.00004  -0.00006  -0.00003   1.71290
   D83       -1.39162   0.00000   0.00008   0.00005   0.00013  -1.39149
   D84       -0.49237   0.00000   0.00003  -0.00006  -0.00003  -0.49240
   D85        2.68627   0.00000   0.00007   0.00006   0.00013   2.68640
   D86       -2.52503   0.00000   0.00004  -0.00006  -0.00002  -2.52505
   D87        0.65361   0.00000   0.00008   0.00006   0.00014   0.65375
   D88        1.40563   0.00000   0.00012   0.00014   0.00025   1.40589
   D89       -2.72145   0.00000   0.00011   0.00019   0.00029  -2.72116
   D90       -0.62022   0.00000   0.00007   0.00022   0.00028  -0.61993
   D91       -0.71101   0.00000   0.00009   0.00013   0.00022  -0.71080
   D92        1.44509   0.00000   0.00008   0.00018   0.00025   1.44534
   D93       -2.73686   0.00000   0.00004   0.00021   0.00025  -2.73661
   D94       -2.76832   0.00000   0.00009   0.00012   0.00021  -2.76811
   D95       -0.61222   0.00000   0.00008   0.00017   0.00025  -0.61197
   D96        1.48901   0.00000   0.00004   0.00020   0.00024   1.48926
   D97       -1.07012   0.00000  -0.00013   0.00002  -0.00011  -1.07023
   D98        1.09458  -0.00001  -0.00015   0.00000  -0.00015   1.09444
   D99       -3.13169   0.00000  -0.00015   0.00003  -0.00011  -3.13180
   D100       3.02231   0.00000  -0.00017  -0.00002  -0.00018   3.02213
   D101      -1.09616   0.00000  -0.00018  -0.00004  -0.00023  -1.09639
   D102       0.96075   0.00000  -0.00018  -0.00001  -0.00019   0.96056
   D103       0.90681   0.00000  -0.00012  -0.00006  -0.00017   0.90663
   D104       3.07151  -0.00001  -0.00013  -0.00008  -0.00022   3.07130
   D105      -1.15476   0.00000  -0.00013  -0.00005  -0.00018  -1.15494
   D106      -1.06313   0.00000   0.00015  -0.00007   0.00008  -1.06305
   D107       3.13156   0.00000   0.00016  -0.00007   0.00009   3.13165
   D108       1.04630   0.00000   0.00015  -0.00007   0.00009   1.04639
   D109       1.06889   0.00000   0.00015  -0.00005   0.00010   1.06899
   D110      -1.01960   0.00000   0.00016  -0.00005   0.00011  -1.01950
   D111      -3.10486   0.00000   0.00016  -0.00005   0.00010  -3.10476
   D112      -3.12572   0.00000   0.00017  -0.00008   0.00008  -3.12564
   D113       1.06897   0.00000   0.00018  -0.00009   0.00009   1.06906
   D114      -1.01629   0.00000   0.00017  -0.00009   0.00009  -1.01620
   D115       0.90859   0.00000   0.00012   0.00001   0.00013   0.90872
   D116      -1.19646   0.00000   0.00011   0.00001   0.00013  -1.19633
   D117       2.99691   0.00000   0.00012   0.00001   0.00014   2.99705
   D118      -1.20084   0.00000   0.00014  -0.00002   0.00012  -1.20072
   D119       2.97730   0.00000   0.00013  -0.00002   0.00012   2.97742
   D120       0.88749   0.00000   0.00014  -0.00002   0.00012   0.88761
   D121       3.00432   0.00000   0.00013   0.00001   0.00015   3.00447
   D122       0.89927   0.00000   0.00013   0.00002   0.00014   0.89941
   D123      -1.19054   0.00000   0.00014   0.00002   0.00015  -1.19039
   D124      -1.03498   0.00000   0.00013   0.00030   0.00042  -1.03455
   D125       1.11325   0.00000   0.00012   0.00025   0.00038   1.11363
   D126      -3.13704   0.00001   0.00014   0.00028   0.00042  -3.13663
   D127       3.08898   0.00000   0.00014   0.00027   0.00041   3.08939
   D128      -1.04597   0.00000   0.00013   0.00023   0.00037  -1.04561
   D129       0.98692   0.00000   0.00015   0.00025   0.00040   0.98732
   D130       1.03929   0.00000   0.00011   0.00023   0.00034   1.03963
   D131      -3.09567   0.00000   0.00011   0.00019   0.00030  -3.09537
   D132      -1.06278   0.00000   0.00013   0.00021   0.00033  -1.06244
   D133      -1.55246   0.00000  -0.00002   0.00006   0.00005  -1.55242
   D134       1.60099   0.00000  -0.00002   0.00007   0.00005   1.60104
   D135       2.58905   0.00000   0.00000   0.00008   0.00008   2.58913
   D136      -0.54068   0.00000   0.00000   0.00008   0.00008  -0.54060
   D137       0.53274   0.00000   0.00001   0.00007   0.00008   0.53282
   D138      -2.59699   0.00000   0.00000   0.00008   0.00008  -2.59692
   D139       0.72330   0.00000   0.00007  -0.00003   0.00004   0.72334
   D140       2.82218   0.00000   0.00007  -0.00004   0.00002   2.82221
   D141      -1.40478   0.00000   0.00007  -0.00005   0.00002  -1.40475
   D142      -1.37884   0.00000   0.00006  -0.00004   0.00002  -1.37883
   D143       0.72005   0.00000   0.00006  -0.00006   0.00000   0.72004
   D144       2.77627   0.00000   0.00007  -0.00007   0.00000   2.77627
   D145       2.85188   0.00000   0.00005  -0.00002   0.00004   2.85191
   D146      -1.33242   0.00000   0.00005  -0.00004   0.00002  -1.33240
   D147       0.72381   0.00000   0.00006  -0.00004   0.00002   0.72383
   D148      -0.83424   0.00000   0.00002   0.00002   0.00004  -0.83420
   D149      -2.96781   0.00000   0.00002   0.00002   0.00004  -2.96778
   D150       1.26284   0.00000   0.00000   0.00000  -0.00001   1.26283
   D151      -2.92995   0.00000   0.00003   0.00003   0.00006  -2.92989
   D152       1.21966   0.00000   0.00002   0.00003   0.00005   1.21971
   D153      -0.83287   0.00000   0.00001   0.00001   0.00001  -0.83286
   D154       1.28732   0.00000   0.00003   0.00003   0.00006   1.28738
   D155      -0.84626   0.00000   0.00002   0.00003   0.00006  -0.84620
   D156      -2.89879   0.00000   0.00001   0.00001   0.00002  -2.89877
   D157      -1.27340   0.00000  -0.00007  -0.00042  -0.00049  -1.27388
   D158       1.88242   0.00000  -0.00007  -0.00046  -0.00053   1.88189
   D159       2.87017   0.00000  -0.00004  -0.00040  -0.00044   2.86973
   D160      -0.25720   0.00000  -0.00005  -0.00044  -0.00049  -0.25769
   D161       0.81298   0.00000  -0.00008  -0.00039  -0.00047   0.81250
   D162      -2.31439   0.00000  -0.00009  -0.00043  -0.00052  -2.31491
   D163      -3.12973   0.00000   0.00001   0.00001   0.00002  -3.12971
   D164       0.01041   0.00000   0.00001   0.00001   0.00002   0.01042
   D165       0.00017   0.00000   0.00001   0.00000   0.00002   0.00018
   D166       3.14030   0.00000   0.00002   0.00000   0.00002   3.14032
   D167       3.13055   0.00000  -0.00001  -0.00002  -0.00003   3.13051
   D168      -0.01680   0.00000  -0.00003  -0.00003  -0.00006  -0.01686
   D169       0.00073   0.00000  -0.00001  -0.00002  -0.00003   0.00070
   D170       3.13657   0.00000  -0.00003  -0.00003  -0.00006   3.13651
   D171      -3.12628   0.00000   0.00000  -0.00001  -0.00001  -3.12629
   D172       0.02180   0.00000   0.00000  -0.00002  -0.00001   0.02179
   D173       0.00127   0.00000   0.00000   0.00003   0.00003   0.00130
   D174      -3.13384   0.00000   0.00000   0.00003   0.00003  -3.13381
   D175       3.12475   0.00000   0.00001   0.00002   0.00003   3.12479
   D176      -0.02016   0.00000   0.00003  -0.00001   0.00002  -0.02014
   D177      -0.00275   0.00000   0.00001  -0.00002  -0.00001  -0.00276
   D178       3.13552   0.00000   0.00003  -0.00005  -0.00003   3.13550
   D179       2.68918   0.00000  -0.00016  -0.00066  -0.00082   2.68836
   D180       0.64482   0.00000  -0.00014  -0.00072  -0.00086   0.64396
   D181      -1.43876   0.00000  -0.00016  -0.00076  -0.00091  -1.43967
   D182      -0.51527   0.00000  -0.00020  -0.00066  -0.00086  -0.51613
   D183      -2.55963   0.00000  -0.00018  -0.00072  -0.00090  -2.56053
   D184       1.63997   0.00000  -0.00019  -0.00076  -0.00096   1.63901
   D185      -0.00031   0.00000  -0.00001   0.00001   0.00000  -0.00031
   D186       3.14060   0.00000  -0.00003   0.00002  -0.00001   3.14059
   D187      -3.14044   0.00000  -0.00001   0.00001   0.00000  -3.14044
   D188       0.00047   0.00000  -0.00003   0.00002  -0.00001   0.00046
   D189      -0.00149   0.00000   0.00001   0.00002   0.00003  -0.00147
   D190       3.13787   0.00000   0.00001   0.00003   0.00004   3.13791
   D191      -3.13738   0.00000   0.00003   0.00003   0.00005  -3.13733
   D192       0.00198   0.00000   0.00003   0.00004   0.00006   0.00205
   D193       0.00124   0.00000  -0.00001  -0.00002  -0.00003   0.00121
   D194      -3.13825   0.00000  -0.00001  -0.00002  -0.00003  -3.13828
   D195       3.13632   0.00000  -0.00001  -0.00001  -0.00002   3.13630
   D196      -0.00316   0.00000  -0.00002  -0.00001  -0.00003  -0.00319
   D197       0.00174   0.00000  -0.00002   0.00000  -0.00002   0.00172
   D198      -3.14046   0.00000  -0.00002  -0.00001  -0.00003  -3.14049
   D199      -3.13653   0.00000  -0.00003   0.00003   0.00000  -3.13654
   D200       0.00445   0.00000  -0.00004   0.00002  -0.00002   0.00443
   D201      -0.00044   0.00000   0.00000  -0.00001  -0.00001  -0.00045
   D202       3.14111   0.00000  -0.00001  -0.00001  -0.00002   3.14109
   D203      -3.14135   0.00000   0.00002  -0.00002   0.00000  -3.14135
   D204       0.00019   0.00000   0.00001  -0.00002  -0.00001   0.00019
   D205       0.00134   0.00000   0.00000  -0.00001  -0.00001   0.00134
   D206      -3.14020   0.00000   0.00001   0.00000   0.00000  -3.14020
   D207      -3.13801   0.00000   0.00000  -0.00002  -0.00002  -3.13803
   D208       0.00363   0.00000   0.00001  -0.00001  -0.00001   0.00362
   D209      -0.00227   0.00000   0.00001  -0.00001   0.00000  -0.00227
   D210       3.14049   0.00000   0.00001   0.00000   0.00001   3.14050
   D211       3.13721   0.00000   0.00001  -0.00001   0.00000   3.13722
   D212      -0.00321   0.00000   0.00001   0.00001   0.00001  -0.00320
   D213       0.00079   0.00000   0.00001   0.00002   0.00002   0.00081
   D214       3.14121   0.00000   0.00001   0.00001   0.00001   3.14123
   D215      -3.14020   0.00000   0.00001   0.00003   0.00004  -3.14016
   D216       0.00023   0.00000   0.00002   0.00001   0.00003   0.00026
   D217      -3.05934   0.00000   0.00009   0.00002   0.00011  -3.05923
   D218       0.07479   0.00000   0.00007   0.00001   0.00009   0.07488
   D219      -0.01518   0.00000   0.00005   0.00006   0.00011  -0.01507
   D220       3.11894   0.00000   0.00004   0.00005   0.00009   3.11903
   D221       3.06312   0.00000  -0.00009  -0.00002  -0.00012   3.06300
   D222      -0.06937   0.00000  -0.00013  -0.00004  -0.00017  -0.06954
   D223       0.02266   0.00000  -0.00006  -0.00006  -0.00012   0.02254
   D224      -3.10982   0.00000  -0.00010  -0.00008  -0.00018  -3.11000
   D225      -0.00287   0.00000  -0.00001  -0.00002  -0.00003  -0.00289
   D226       3.14031   0.00000  -0.00002  -0.00002  -0.00004   3.14027
   D227      -3.13706   0.00000   0.00000  -0.00001   0.00000  -3.13707
   D228       0.00611   0.00000   0.00000  -0.00001  -0.00001   0.00610
   D229      -2.85544   0.00000  -0.00035  -0.00049  -0.00084  -2.85628
   D230       1.33750   0.00000  -0.00038  -0.00050  -0.00088   1.33662
   D231      -0.75420   0.00000  -0.00035  -0.00049  -0.00084  -0.75504
   D232       0.27856   0.00000  -0.00037  -0.00050  -0.00087   0.27769
   D233      -1.81168   0.00000  -0.00040  -0.00051  -0.00091  -1.81259
   D234       2.37980   0.00000  -0.00036  -0.00050  -0.00087   2.37893
   D235      -0.01228   0.00000   0.00002   0.00002   0.00004  -0.01224
   D236       3.13638   0.00000   0.00001   0.00000   0.00000   3.13639
   D237       3.12034   0.00000   0.00006   0.00004   0.00010   3.12044
   D238      -0.01418   0.00000   0.00004   0.00002   0.00006  -0.01413
   D239       2.82390   0.00000   0.00026   0.00027   0.00053   2.82442
   D240       0.72324   0.00000   0.00024   0.00026   0.00050   0.72374
   D241      -1.36528   0.00000   0.00025   0.00028   0.00053  -1.36475
   D242      -0.30845   0.00000   0.00022   0.00025   0.00047  -0.30798
   D243      -2.40911   0.00000   0.00020   0.00024   0.00044  -2.40866
   D244       1.78555   0.00000   0.00022   0.00026   0.00047   1.78603
   D245       0.01304   0.00000  -0.00003  -0.00002  -0.00005   0.01299
   D246      -3.13366   0.00000  -0.00003  -0.00001  -0.00004  -3.13370
   D247      -3.13015   0.00000  -0.00002  -0.00002  -0.00004  -3.13019
   D248       0.00633   0.00000  -0.00002   0.00000  -0.00002   0.00631
   D249      -0.00528   0.00000   0.00002   0.00002   0.00004  -0.00524
   D250       3.14143   0.00000   0.00002   0.00001   0.00003   3.14145
   D251       3.12921   0.00000   0.00004   0.00004   0.00008   3.12929
   D252      -0.00727   0.00000   0.00004   0.00003   0.00007  -0.00720
         Item               Value     Threshold  Converged?
 Maximum Force            0.000021     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.011168     0.001800     NO 
 RMS     Displacement     0.001557     0.001200     NO 
 Predicted change in Energy=-5.354734D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.248049    0.006385   -0.930106
      2          8           0       -2.635811    0.229824   -2.480496
      3          8           0       -3.519551   -2.173421    1.263668
      4          8           0        2.348139    2.301391    2.270733
      5          8           0        3.449125   -0.995859    1.580388
      6          7           0       -2.720288   -2.633294   -0.876958
      7          7           0       -3.205877    0.393107   -0.252987
      8          7           0        2.131227    1.099492    0.318760
      9          7           0       -1.745390   -3.619801    1.111922
     10          6           0       -2.808424    1.765204   -0.039986
     11          6           0       -3.699766   -1.722461   -1.437297
     12          6           0       -1.422938    2.133290   -0.597911
     13          6           0       -0.299417    1.201945   -0.168720
     14          6           0       -4.174546   -2.099512   -2.857034
     15          6           0        1.082084    1.923572   -0.237031
     16          6           0       -2.879511    2.147758    1.454092
     17          6           0       -3.141556   -0.267824   -1.450295
     18          6           0       -1.535408   -2.919526   -1.660067
     19          6           0       -0.280724   -3.198869   -0.836825
     20          6           0        1.381379    2.323701   -1.694166
     21          6           0       -2.677903   -2.758469    0.528710
     22          6           0       -5.286182   -1.156507   -3.277262
     23          6           0       -4.673673   -3.528260   -2.909262
     24          6           0       -0.599804   -4.074834    0.371248
     25          6           0       -4.260228    2.043397    1.998297
     26          6           0        2.652319    3.081991   -1.834722
     27          6           0        2.637723    1.301518    1.581026
     28          6           0       -5.124916    3.142671    1.928733
     29          6           0       -4.705091    0.857485    2.595695
     30          6           0        2.733117    4.410152   -1.397782
     31          6           0        3.774889    2.484594   -2.419193
     32          6           0        3.660602    0.308303    2.132130
     33          6           0       -6.414954    3.057910    2.448741
     34          6           0       -5.997061    0.775935    3.114068
     35          6           0       -6.853197    1.874349    3.042608
     36          6           0        3.917931    5.128382   -1.545221
     37          6           0        4.958892    3.205685   -2.567319
     38          6           0        5.032521    4.528092   -2.131410
     39          6           0        4.616547   -1.660757    1.213071
     40          6           0        4.737986   -2.057336   -0.132769
     41          6           0        5.577915   -2.025622    2.173102
     42          6           0        5.852853   -2.813826   -0.507879
     43          6           0        6.684574   -2.775271    1.759247
     44          6           0        3.709719   -1.695343   -1.134455
     45          6           0        5.432551   -1.643653    3.596217
     46          6           0        6.822376   -3.163451    0.429106
     47          1           0       -3.551005    2.422797   -0.593697
     48          1           0       -4.612115   -1.757682   -0.762616
     49          1           0       -1.491735    2.139182   -1.720703
     50          1           0       -1.188167    3.176797   -0.261357
     51          1           0       -0.471454    0.849176    0.889904
     52          1           0       -3.310488   -1.975507   -3.568440
     53          1           0        1.012368    2.865428    0.386751
     54          1           0       -3.566070   -0.098247    0.540476
     55          1           0       -2.184488    1.497555    2.049529
     56          1           0       -2.515727    3.205549    1.550588
     57          1           0       -1.766350   -3.818435   -2.302363
     58          1           0       -1.324962   -2.043075   -2.343150
     59          1           0        0.467132   -3.723107   -1.483611
     60          1           0        0.172492   -2.226950   -0.501570
     61          1           0        1.405660    1.402393   -2.335671
     62          1           0        0.529564    2.962700   -2.052397
     63          1           0       -6.157858   -1.237918   -2.584189
     64          1           0       -5.629167   -1.415384   -4.308092
     65          1           0       -4.924144   -0.099638   -3.281380
     66          1           0       -5.434157   -3.708105   -2.111459
     67          1           0       -3.838338   -4.255213   -2.770742
     68          1           0       -5.147675   -3.727050   -3.901494
     69          1           0        0.296519   -4.112373    1.053037
     70          1           0       -0.808447   -5.127181    0.018320
     71          1           0        2.247253    0.200998   -0.096286
     72          1           0       -1.677297   -3.567003    2.102164
     73          1           0       -0.512619    0.214362   -1.838089
     74          1           0       -4.782128    4.078063    1.461980
     75          1           0       -4.039767   -0.020527    2.655398
     76          1           0        1.857027    4.884155   -0.930659
     77          1           0        3.723447    1.439802   -2.760500
     78          1           0        3.504244    0.229945    3.242105
     79          1           0        4.688229    0.697027    1.913770
     80          1           0       -7.087148    3.926402    2.390703
     81          1           0       -6.339103   -0.160937    3.578479
     82          1           0       -7.871041    1.807944    3.453267
     83          1           0        3.973795    6.170022   -1.196506
     84          1           0        5.836066    2.728991   -3.028616
     85          1           0        5.966655    5.096100   -2.248203
     86          1           0        5.962055   -3.132811   -1.555553
     87          1           0        7.448110   -3.064434    2.497328
     88          1           0        3.806968   -2.322652   -2.054511
     89          1           0        3.823477   -0.620779   -1.430212
     90          1           0        2.682442   -1.841525   -0.713244
     91          1           0        6.084659   -2.274214    4.249268
     92          1           0        4.370870   -1.769574    3.926790
     93          1           0        5.721973   -0.572037    3.741941
     94          1           0        7.697849   -3.752588    0.117966
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832682      0.0419728      0.0367740
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.8531433624 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893662810     A.U. after   10 cycles
             Convg  =    0.5476D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000003382    0.000010306    0.000007227
      2        8           0.000002859    0.000003430    0.000002253
      3        8           0.000015974   -0.000009227    0.000016669
      4        8           0.000002796    0.000000509    0.000008680
      5        8           0.000000026   -0.000010991    0.000000349
      6        7           0.000020789    0.000014835   -0.000021772
      7        7           0.000002872    0.000030547    0.000008831
      8        7          -0.000002907   -0.000025081    0.000003258
      9        7           0.000025368    0.000011964   -0.000003867
     10        6          -0.000005008   -0.000013482   -0.000009807
     11        6          -0.000012604    0.000001150    0.000001418
     12        6          -0.000000794    0.000000997    0.000001467
     13        6           0.000009515   -0.000013330   -0.000021988
     14        6           0.000002136   -0.000003040   -0.000005607
     15        6          -0.000011806    0.000008457    0.000002434
     16        6           0.000000260    0.000000738    0.000001954
     17        6           0.000003169   -0.000008528   -0.000007350
     18        6          -0.000000062   -0.000002684    0.000009535
     19        6           0.000006383   -0.000001897   -0.000003176
     20        6           0.000006556    0.000007546   -0.000001640
     21        6          -0.000057984   -0.000001694    0.000003390
     22        6          -0.000001961    0.000000084    0.000001524
     23        6           0.000002587    0.000006354    0.000006016
     24        6           0.000000351   -0.000007109    0.000006379
     25        6           0.000002914    0.000002546   -0.000003840
     26        6          -0.000001724   -0.000004363   -0.000005129
     27        6          -0.000002155    0.000012577   -0.000015967
     28        6           0.000001598    0.000000031    0.000001564
     29        6          -0.000001024    0.000000965    0.000000934
     30        6           0.000001505   -0.000000148   -0.000000070
     31        6          -0.000001768    0.000002772    0.000003179
     32        6           0.000007884   -0.000000261    0.000002615
     33        6          -0.000001964    0.000002045   -0.000001586
     34        6           0.000005647   -0.000001388    0.000002798
     35        6          -0.000004014    0.000000357   -0.000002320
     36        6          -0.000002822    0.000001758   -0.000001919
     37        6           0.000001563   -0.000001871    0.000000652
     38        6           0.000002527   -0.000002400    0.000000473
     39        6           0.000004258    0.000003147   -0.000012626
     40        6           0.000010807   -0.000000949    0.000003367
     41        6          -0.000005795   -0.000004329    0.000009513
     42        6          -0.000006187    0.000004451   -0.000001352
     43        6          -0.000001954   -0.000004685    0.000010521
     44        6          -0.000004781   -0.000004940    0.000001219
     45        6           0.000002564    0.000003746   -0.000005409
     46        6           0.000000987    0.000004795   -0.000010271
     47        1           0.000002825   -0.000002512   -0.000000085
     48        1           0.000005326   -0.000005973    0.000004554
     49        1           0.000002912    0.000001115    0.000002478
     50        1          -0.000001109    0.000001371    0.000002071
     51        1          -0.000002058   -0.000002853   -0.000002494
     52        1           0.000000279    0.000002069   -0.000000143
     53        1           0.000000180   -0.000000174    0.000002652
     54        1          -0.000000907   -0.000009281    0.000002655
     55        1          -0.000002213    0.000000031    0.000001040
     56        1          -0.000001086   -0.000000258   -0.000000135
     57        1          -0.000003022   -0.000003632   -0.000002525
     58        1          -0.000001860   -0.000001685    0.000002882
     59        1          -0.000000226   -0.000000083   -0.000000788
     60        1           0.000001358    0.000000210    0.000003846
     61        1          -0.000000543   -0.000002043   -0.000001593
     62        1           0.000002264    0.000001211    0.000001719
     63        1           0.000000262   -0.000002713    0.000000936
     64        1           0.000001000   -0.000000284   -0.000002980
     65        1          -0.000001484    0.000002278    0.000001540
     66        1           0.000000018   -0.000003269    0.000001906
     67        1          -0.000002537   -0.000001148   -0.000002126
     68        1           0.000001091    0.000000544   -0.000004719
     69        1           0.000002070    0.000003207    0.000001964
     70        1           0.000000110    0.000000706    0.000001490
     71        1          -0.000000249    0.000007895    0.000001058
     72        1          -0.000003031   -0.000002723   -0.000010272
     73        1          -0.000014304   -0.000001715    0.000007122
     74        1          -0.000000347    0.000001532   -0.000000513
     75        1          -0.000003985    0.000000060   -0.000002891
     76        1           0.000001063   -0.000000552    0.000000703
     77        1           0.000000671   -0.000001479   -0.000001715
     78        1          -0.000000876   -0.000003133    0.000003439
     79        1          -0.000000240    0.000005245    0.000001972
     80        1           0.000001216   -0.000000439    0.000001490
     81        1          -0.000001138   -0.000000912   -0.000000669
     82        1           0.000001369   -0.000001535    0.000000664
     83        1           0.000000796    0.000000402    0.000001008
     84        1          -0.000001407    0.000001111    0.000000008
     85        1          -0.000000930    0.000001612    0.000000289
     86        1           0.000001480    0.000000163   -0.000003667
     87        1          -0.000002554    0.000000903    0.000000330
     88        1          -0.000001201   -0.000001165   -0.000001144
     89        1           0.000003553    0.000002982    0.000005199
     90        1           0.000000753    0.000001695    0.000001191
     91        1          -0.000002901   -0.000000228    0.000000092
     92        1           0.000001335   -0.000001519   -0.000001021
     93        1           0.000001019    0.000001558    0.000000162
     94        1          -0.000002704   -0.000000304    0.000000496
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000057984 RMS     0.000006717

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000025431 RMS     0.000003896
 Search for a local minimum.
 Step number  44 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
 DE= -4.92D-08 DEPred=-5.35D-08 R= 9.19D-01
 Trust test= 9.19D-01 RLast= 5.17D-03 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00043   0.00185   0.00191   0.00208   0.00230
     Eigenvalues ---    0.00238   0.00264   0.00319   0.00332   0.00376
     Eigenvalues ---    0.00413   0.00489   0.00499   0.00551   0.00558
     Eigenvalues ---    0.00599   0.00647   0.00720   0.00785   0.00982
     Eigenvalues ---    0.01107   0.01263   0.01370   0.01406   0.01447
     Eigenvalues ---    0.01474   0.01496   0.01536   0.01716   0.01904
     Eigenvalues ---    0.01982   0.02057   0.02114   0.02121   0.02125
     Eigenvalues ---    0.02150   0.02151   0.02156   0.02158   0.02162
     Eigenvalues ---    0.02170   0.02172   0.02175   0.02177   0.02177
     Eigenvalues ---    0.02178   0.02179   0.02180   0.02185   0.02187
     Eigenvalues ---    0.02189   0.02198   0.02297   0.02322   0.02477
     Eigenvalues ---    0.03130   0.03179   0.03398   0.03477   0.03822
     Eigenvalues ---    0.03956   0.03998   0.04056   0.04278   0.04349
     Eigenvalues ---    0.04397   0.04474   0.04635   0.04714   0.04871
     Eigenvalues ---    0.04907   0.05026   0.05057   0.05091   0.05280
     Eigenvalues ---    0.05357   0.05440   0.05441   0.05517   0.05588
     Eigenvalues ---    0.05608   0.05644   0.05665   0.05715   0.05928
     Eigenvalues ---    0.06072   0.06489   0.06898   0.07013   0.07116
     Eigenvalues ---    0.07188   0.07270   0.07393   0.07550   0.07574
     Eigenvalues ---    0.07919   0.08101   0.08338   0.08779   0.09239
     Eigenvalues ---    0.09423   0.09513   0.09764   0.11071   0.11667
     Eigenvalues ---    0.12150   0.12607   0.12896   0.13004   0.14101
     Eigenvalues ---    0.14478   0.15365   0.15775   0.15902   0.15964
     Eigenvalues ---    0.15975   0.15989   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16010   0.16013   0.16018   0.16026   0.16052
     Eigenvalues ---    0.16075   0.16203   0.16237   0.16697   0.16937
     Eigenvalues ---    0.17666   0.17960   0.19220   0.19470   0.19752
     Eigenvalues ---    0.20325   0.20754   0.21145   0.21812   0.21944
     Eigenvalues ---    0.22000   0.22000   0.22007   0.22073   0.22159
     Eigenvalues ---    0.22663   0.22843   0.23197   0.23409   0.23473
     Eigenvalues ---    0.23520   0.23713   0.23909   0.24138   0.24681
     Eigenvalues ---    0.24712   0.24887   0.24976   0.25024   0.25254
     Eigenvalues ---    0.25422   0.26147   0.26568   0.26722   0.27387
     Eigenvalues ---    0.27843   0.28125   0.28459   0.28550   0.28887
     Eigenvalues ---    0.29196   0.29449   0.30009   0.30526   0.30832
     Eigenvalues ---    0.31230   0.31356   0.32069   0.32462   0.33186
     Eigenvalues ---    0.33706   0.34270   0.34452   0.34496   0.34546
     Eigenvalues ---    0.34599   0.34642   0.34656   0.34686   0.34705
     Eigenvalues ---    0.34724   0.34732   0.34734   0.34748   0.34755
     Eigenvalues ---    0.34757   0.34774   0.34777   0.34790   0.34793
     Eigenvalues ---    0.34816   0.34820   0.34823   0.34834   0.34841
     Eigenvalues ---    0.34879   0.34901   0.34972   0.35004   0.35134
     Eigenvalues ---    0.35514   0.35871   0.35888   0.35921   0.35946
     Eigenvalues ---    0.35966   0.35983   0.35991   0.35997   0.36013
     Eigenvalues ---    0.36025   0.36036   0.36042   0.36104   0.36502
     Eigenvalues ---    0.36833   0.38935   0.39215   0.40722   0.40867
     Eigenvalues ---    0.41902   0.42276   0.42315   0.42412   0.43242
     Eigenvalues ---    0.43873   0.44958   0.45337   0.45719   0.46046
     Eigenvalues ---    0.46136   0.46195   0.46334   0.46392   0.46535
     Eigenvalues ---    0.46690   0.46764   0.46778   0.46871   0.46958
     Eigenvalues ---    0.47340   0.48113   0.50173   0.51550   0.52643
     Eigenvalues ---    0.54375   0.57824   0.58231   0.60631   0.61578
     Eigenvalues ---    0.67476   0.74158   0.88146   0.91314   0.92228
     Eigenvalues ---    0.982191000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    44   43   42   41   40
 RFO step:  Lambda=-1.28884086D-08.
 DIIS coeffs:      1.00205      0.25997     -0.28302     -0.16067      0.18167
 Iteration  1 RMS(Cart)=  0.00066585 RMS(Int)=  0.00000005
 Iteration  2 RMS(Cart)=  0.00000026 RMS(Int)=  0.00000002
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68029   0.00001   0.00000   0.00000   0.00000   2.68029
    R2        1.82990   0.00001  -0.00001   0.00001   0.00000   1.82990
    R3        2.36385   0.00000   0.00000   0.00000   0.00000   2.36385
    R4        2.38347  -0.00002  -0.00001  -0.00001  -0.00001   2.38345
    R5        2.35974  -0.00001   0.00000  -0.00001  -0.00001   2.35973
    R6        2.70566  -0.00001  -0.00001  -0.00001  -0.00002   2.70564
    R7        2.63201   0.00000   0.00000  -0.00001  -0.00001   2.63199
    R8        2.74041   0.00001   0.00000   0.00000   0.00001   2.74042
    R9        2.73790   0.00001   0.00000   0.00000   0.00001   2.73791
   R10        2.66804  -0.00002   0.00001  -0.00002  -0.00001   2.66803
   R11        2.72932   0.00002   0.00001   0.00002   0.00003   2.72935
   R12        2.58728   0.00000   0.00000  -0.00001  -0.00001   2.58727
   R13        1.89044  -0.00001   0.00002  -0.00001   0.00001   1.89044
   R14        2.73110   0.00000   0.00000   0.00002   0.00002   2.73112
   R15        2.59840   0.00001   0.00000   0.00003   0.00003   2.59843
   R16        1.88312   0.00000   0.00000   0.00002   0.00002   1.88314
   R17        2.63995   0.00003   0.00000   0.00002   0.00003   2.63997
   R18        2.71754   0.00001   0.00003   0.00000   0.00003   2.71757
   R19        1.87836   0.00001   0.00002   0.00000   0.00002   1.87838
   R20        2.90695   0.00000   0.00000   0.00001   0.00001   2.90696
   R21        2.91757   0.00000   0.00001   0.00000   0.00001   2.91759
   R22        2.14669   0.00000  -0.00001   0.00000  -0.00001   2.14668
   R23        2.91731   0.00000  -0.00002   0.00000  -0.00003   2.91728
   R24        2.94442   0.00000   0.00001   0.00001   0.00002   2.94443
   R25        2.14533  -0.00001   0.00000  -0.00001  -0.00002   2.14532
   R26        2.87456   0.00000   0.00000   0.00000   0.00000   2.87456
   R27        2.12578   0.00000  -0.00001   0.00000   0.00000   2.12577
   R28        2.11893   0.00000   0.00000  -0.00001  -0.00001   2.11893
   R29        2.94819   0.00000  -0.00001  -0.00002  -0.00003   2.94816
   R30        2.13357   0.00000   0.00001  -0.00001  -0.00001   2.13357
   R31        2.86690   0.00000   0.00000   0.00000   0.00000   2.86690
   R32        2.86166   0.00000  -0.00001   0.00001   0.00000   2.86166
   R33        2.12800   0.00000   0.00000   0.00000   0.00000   2.12799
   R34        2.91099  -0.00001   0.00000  -0.00003  -0.00003   2.91096
   R35        2.13886   0.00000   0.00000  -0.00001  -0.00001   2.13885
   R36        2.81146   0.00000   0.00001   0.00000   0.00001   2.81147
   R37        2.12152   0.00000   0.00000   0.00000  -0.00001   2.12151
   R38        2.12169   0.00000  -0.00001   0.00000  -0.00001   2.12168
   R39        2.88454   0.00001   0.00001   0.00000   0.00001   2.88454
   R40        2.13289   0.00000   0.00000  -0.00001   0.00000   2.13289
   R41        2.13719   0.00000   0.00000   0.00000   0.00000   2.13720
   R42        2.88366   0.00000   0.00000   0.00000   0.00000   2.88365
   R43        2.11484   0.00000   0.00000   0.00000   0.00000   2.11484
   R44        2.12325   0.00000   0.00000   0.00000  -0.00001   2.12325
   R45        2.80931   0.00000   0.00000   0.00000   0.00001   2.80932
   R46        2.12199   0.00000   0.00000   0.00000   0.00000   2.12199
   R47        2.12310   0.00000   0.00000   0.00000  -0.00001   2.12309
   R48        2.11007   0.00000   0.00000   0.00000  -0.00001   2.11006
   R49        2.11047   0.00000   0.00000   0.00000   0.00000   2.11046
   R50        2.11114   0.00000   0.00000   0.00000  -0.00001   2.11113
   R51        2.11038   0.00000   0.00000   0.00000   0.00000   2.11038
   R52        2.10892   0.00000   0.00000   0.00000   0.00000   2.10891
   R53        2.11169   0.00000   0.00000  -0.00001  -0.00001   2.11169
   R54        2.12931   0.00000  -0.00001   0.00000  -0.00001   2.12930
   R55        2.13424   0.00000  -0.00001   0.00000  -0.00001   2.13423
   R56        2.64624   0.00000   0.00000   0.00000   0.00000   2.64624
   R57        2.64641   0.00000   0.00000   0.00000   0.00000   2.64641
   R58        2.64660   0.00000   0.00000   0.00000   0.00000   2.64660
   R59        2.64471   0.00000   0.00000   0.00000   0.00000   2.64471
   R60        2.88855   0.00001  -0.00001   0.00000  -0.00001   2.88854
   R61        2.63330   0.00000   0.00000   0.00000   0.00000   2.63330
   R62        2.07897   0.00000   0.00000   0.00000   0.00000   2.07897
   R63        2.63517   0.00000   0.00000   0.00000   0.00000   2.63517
   R64        2.08481   0.00000   0.00000  -0.00001  -0.00001   2.08480
   R65        2.63302   0.00000   0.00000   0.00000   0.00000   2.63302
   R66        2.07906   0.00000   0.00000   0.00000   0.00000   2.07905
   R67        2.63464   0.00000   0.00000   0.00000   0.00000   2.63464
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12343   0.00000   0.00000  -0.00001  -0.00001   2.12342
   R70        2.11683  -0.00001   0.00000  -0.00001  -0.00001   2.11683
   R71        2.63585   0.00000   0.00000   0.00000   0.00000   2.63585
   R72        2.07826   0.00000   0.00000   0.00000   0.00000   2.07826
   R73        2.63519   0.00000   0.00000   0.00000   0.00000   2.63519
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07789   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63634   0.00000   0.00000   0.00000   0.00000   2.63634
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63493   0.00000   0.00000   0.00000   0.00000   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07774   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66130   0.00001  -0.00001   0.00000  -0.00001   2.66129
   R82        2.65842  -0.00001   0.00001  -0.00002   0.00000   2.65841
   R83        2.64286  -0.00001   0.00001  -0.00001   0.00000   2.64285
   R84        2.79765   0.00000   0.00000   0.00002   0.00002   2.79767
   R85        2.64423   0.00000   0.00000  -0.00001  -0.00001   2.64422
   R86        2.79800   0.00001   0.00001   0.00001   0.00002   2.79801
   R87        2.63219   0.00000   0.00000   0.00000  -0.00001   2.63218
   R88        2.07981   0.00000   0.00000  -0.00001   0.00000   2.07981
   R89        2.63137  -0.00001   0.00001  -0.00001  -0.00001   2.63136
   R90        2.07987   0.00000   0.00000   0.00000   0.00000   2.07987
   R91        2.11234   0.00000   0.00000   0.00000   0.00000   2.11233
   R92        2.11709  -0.00001   0.00000  -0.00001  -0.00001   2.11708
   R93        2.11623   0.00000   0.00000   0.00000   0.00000   2.11623
   R94        2.11221   0.00000   0.00000   0.00000   0.00000   2.11221
   R95        2.11472   0.00000   0.00000   0.00000   0.00000   2.11472
   R96        2.11562   0.00000   0.00000   0.00000   0.00000   2.11561
   R97        2.07899   0.00000   0.00000   0.00000   0.00000   2.07899
    A1        1.88853  -0.00001  -0.00001   0.00001   0.00000   1.88853
    A2        1.99617   0.00000   0.00002  -0.00002   0.00000   1.99617
    A3        2.05738   0.00000   0.00001   0.00000   0.00000   2.05738
    A4        2.04954  -0.00001   0.00000   0.00000   0.00000   2.04954
    A5        2.08986   0.00001   0.00002   0.00003   0.00005   2.08991
    A6        2.18297  -0.00001   0.00002   0.00000   0.00002   2.18299
    A7        2.03613   0.00000  -0.00001   0.00000  -0.00001   2.03613
    A8        2.06398   0.00000  -0.00001   0.00000  -0.00001   2.06397
    A9        2.13727   0.00000  -0.00002  -0.00004  -0.00006   2.13721
   A10        2.02469   0.00000  -0.00002  -0.00006  -0.00008   2.02462
   A11        2.06228   0.00000  -0.00002  -0.00008  -0.00010   2.06218
   A12        2.10810   0.00000  -0.00001  -0.00001  -0.00002   2.10808
   A13        2.01405   0.00000   0.00000  -0.00003  -0.00004   2.01401
   A14        2.06615   0.00001  -0.00003  -0.00001  -0.00004   2.06611
   A15        2.00610  -0.00001   0.00002   0.00000   0.00002   2.00612
   A16        1.94491   0.00000   0.00000  -0.00002  -0.00002   1.94488
   A17        1.87357   0.00000   0.00000   0.00000   0.00000   1.87357
   A18        1.91045   0.00001   0.00000   0.00001   0.00001   1.91047
   A19        1.84778   0.00000   0.00001   0.00000   0.00001   1.84779
   A20        1.87356   0.00000  -0.00002   0.00000  -0.00002   1.87355
   A21        1.99289  -0.00001  -0.00001   0.00000  -0.00001   1.99288
   A22        1.92583   0.00001  -0.00002  -0.00001  -0.00002   1.92581
   A23        1.86887   0.00000   0.00003  -0.00002   0.00001   1.86889
   A24        1.90766   0.00000  -0.00001   0.00002   0.00001   1.90767
   A25        1.86692   0.00000   0.00000   0.00000   0.00000   1.86691
   A26        1.89846   0.00000   0.00001   0.00001   0.00001   1.89848
   A27        2.00027   0.00000   0.00000   0.00001   0.00001   2.00028
   A28        1.88407   0.00000   0.00001   0.00000   0.00001   1.88408
   A29        1.87800   0.00000   0.00000   0.00000   0.00000   1.87801
   A30        1.90709   0.00000   0.00001  -0.00002  -0.00001   1.90708
   A31        1.90759   0.00000  -0.00001   0.00000  -0.00001   1.90757
   A32        1.88338   0.00000   0.00000   0.00000   0.00000   1.88338
   A33        1.97293  -0.00002   0.00001  -0.00003  -0.00002   1.97290
   A34        1.91168   0.00001   0.00000   0.00001   0.00001   1.91169
   A35        1.81881   0.00000   0.00001   0.00000   0.00001   1.81882
   A36        1.93744   0.00001  -0.00002   0.00002   0.00000   1.93744
   A37        1.92124   0.00000   0.00000   0.00001   0.00001   1.92124
   A38        1.89706  -0.00001   0.00000  -0.00001  -0.00001   1.89705
   A39        1.90527   0.00000   0.00001   0.00001   0.00001   1.90529
   A40        1.94284   0.00000  -0.00001   0.00000  -0.00002   1.94283
   A41        1.89454   0.00000   0.00001   0.00000   0.00001   1.89454
   A42        1.91282   0.00000   0.00000   0.00000   0.00000   1.91282
   A43        1.89526   0.00000   0.00000   0.00000   0.00000   1.89526
   A44        1.91242   0.00000   0.00000   0.00000   0.00000   1.91242
   A45        1.94146   0.00000   0.00000   0.00001   0.00001   1.94148
   A46        1.95071   0.00000   0.00000  -0.00004  -0.00004   1.95067
   A47        1.88311   0.00000  -0.00001   0.00002   0.00001   1.88312
   A48        1.91093   0.00001  -0.00001   0.00002   0.00001   1.91094
   A49        1.88203   0.00000   0.00001  -0.00001   0.00001   1.88204
   A50        1.89351   0.00000   0.00002  -0.00001   0.00001   1.89351
   A51        1.95987   0.00001  -0.00003   0.00000  -0.00003   1.95984
   A52        1.91904   0.00000   0.00001  -0.00001   0.00000   1.91904
   A53        1.87727   0.00000   0.00002   0.00001   0.00003   1.87730
   A54        1.91762   0.00000   0.00000  -0.00001   0.00000   1.91761
   A55        1.91277   0.00000   0.00001   0.00000   0.00001   1.91279
   A56        1.87494   0.00000  -0.00001   0.00001   0.00000   1.87494
   A57        2.14976   0.00000   0.00001   0.00001   0.00002   2.14978
   A58        2.12131  -0.00001  -0.00001  -0.00001  -0.00003   2.12129
   A59        2.01147   0.00000   0.00000   0.00000   0.00000   2.01148
   A60        2.00079   0.00000   0.00001  -0.00001   0.00000   2.00079
   A61        1.87297   0.00000   0.00001   0.00001   0.00002   1.87298
   A62        1.90238   0.00000   0.00000   0.00000   0.00000   1.90238
   A63        1.90641   0.00000  -0.00001   0.00001   0.00000   1.90641
   A64        1.89085   0.00000   0.00000   0.00001   0.00000   1.89085
   A65        1.88764   0.00000  -0.00001  -0.00001  -0.00002   1.88761
   A66        1.93922   0.00000   0.00000   0.00000   0.00000   1.93923
   A67        1.90002   0.00000   0.00000  -0.00001  -0.00001   1.90002
   A68        1.91153   0.00000   0.00000   0.00000   0.00000   1.91153
   A69        1.90538   0.00000   0.00000   0.00000   0.00000   1.90537
   A70        1.92269   0.00000   0.00000   0.00001   0.00001   1.92270
   A71        1.88399   0.00000   0.00000   0.00000   0.00000   1.88399
   A72        1.96929   0.00000   0.00002  -0.00001   0.00001   1.96930
   A73        1.90867   0.00000  -0.00001   0.00001   0.00000   1.90867
   A74        1.87763   0.00000   0.00000  -0.00001  -0.00001   1.87762
   A75        1.92410   0.00000   0.00000   0.00000   0.00000   1.92410
   A76        1.90490   0.00000  -0.00001   0.00001   0.00000   1.90490
   A77        1.87642   0.00000   0.00000   0.00000   0.00001   1.87642
   A78        2.11647   0.00000  -0.00001   0.00001   0.00000   2.11647
   A79        2.08077   0.00000   0.00001  -0.00001   0.00001   2.08078
   A80        2.08328   0.00000  -0.00001   0.00000   0.00000   2.08328
   A81        1.93346   0.00000   0.00000   0.00000   0.00000   1.93346
   A82        1.91412   0.00000   0.00000   0.00000   0.00000   1.91412
   A83        1.93008   0.00000   0.00000   0.00001   0.00000   1.93008
   A84        1.89259   0.00000   0.00000   0.00000   0.00000   1.89259
   A85        1.90101   0.00000   0.00000   0.00000   0.00000   1.90101
   A86        1.89169   0.00000   0.00000   0.00000   0.00000   1.89169
   A87        1.93024   0.00000   0.00000   0.00000   0.00000   1.93024
   A88        1.94292   0.00000   0.00000   0.00000   0.00000   1.94292
   A89        1.91588   0.00000   0.00000   0.00000   0.00000   1.91588
   A90        1.89246   0.00000  -0.00001   0.00000   0.00000   1.89245
   A91        1.89318   0.00000   0.00000   0.00000   0.00000   1.89318
   A92        1.88792   0.00000   0.00000   0.00001   0.00000   1.88792
   A93        1.97435   0.00000   0.00001   0.00001   0.00001   1.97436
   A94        1.90984   0.00000  -0.00001   0.00001   0.00000   1.90984
   A95        1.88454   0.00000  -0.00002  -0.00001  -0.00003   1.88451
   A96        1.90902   0.00000   0.00001   0.00000   0.00001   1.90904
   A97        1.90299   0.00000   0.00000   0.00000   0.00000   1.90298
   A98        1.88073   0.00000   0.00001  -0.00001   0.00001   1.88074
   A99        2.09419   0.00000   0.00000   0.00001   0.00001   2.09420
   A100       2.10627   0.00000  -0.00001  -0.00001  -0.00002   2.10625
   A101       2.08266   0.00000   0.00001   0.00000   0.00001   2.08267
   A102       2.09850   0.00000   0.00000   0.00000   0.00000   2.09850
   A103       2.10307   0.00000   0.00000   0.00000   0.00000   2.10307
   A104       2.08153   0.00000   0.00000   0.00000   0.00000   2.08154
   A105       2.14036   0.00000   0.00000   0.00001   0.00001   2.14037
   A106       2.06728   0.00000  -0.00002   0.00002   0.00000   2.06728
   A107       2.07374   0.00001   0.00002  -0.00004  -0.00002   2.07372
   A108       2.10060   0.00000   0.00000   0.00000   0.00000   2.10059
   A109       2.08993   0.00000  -0.00001   0.00000  -0.00001   2.08992
   A110       2.09266   0.00000   0.00001   0.00000   0.00001   2.09267
   A111       2.09718   0.00000  -0.00001   0.00000   0.00000   2.09718
   A112       2.10071   0.00000  -0.00001  -0.00001  -0.00001   2.10070
   A113       2.08527   0.00000   0.00001   0.00000   0.00002   2.08529
   A114       2.10005   0.00000   0.00000   0.00000   0.00000   2.10005
   A115       2.08875   0.00000   0.00000   0.00000   0.00000   2.08875
   A116       2.09437   0.00000   0.00000   0.00000   0.00000   2.09437
   A117       2.09992   0.00000   0.00000   0.00000   0.00000   2.09992
   A118       2.09134   0.00000   0.00000   0.00000   0.00001   2.09135
   A119       2.09192   0.00000   0.00000   0.00000  -0.00001   2.09191
   A120       1.93273   0.00001   0.00005  -0.00008  -0.00004   1.93270
   A121       1.87191   0.00000  -0.00003   0.00003   0.00000   1.87192
   A122       1.95678  -0.00001   0.00001  -0.00001   0.00000   1.95678
   A123       1.88424  -0.00001  -0.00003   0.00002  -0.00001   1.88423
   A124       1.89455   0.00000   0.00000   0.00003   0.00003   1.89458
   A125       1.92241   0.00000   0.00000   0.00001   0.00001   1.92241
   A126       2.09597   0.00000   0.00000   0.00000   0.00000   2.09597
   A127       2.09222   0.00000   0.00001   0.00000   0.00001   2.09222
   A128       2.09500   0.00000  -0.00001   0.00000   0.00000   2.09499
   A129       2.09868   0.00000   0.00000   0.00000   0.00000   2.09867
   A130       2.08836   0.00000   0.00000   0.00000   0.00000   2.08836
   A131       2.09615   0.00000   0.00000   0.00000   0.00000   2.09615
   A132       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A133       2.09566   0.00000  -0.00001   0.00000  -0.00001   2.09565
   A134       2.09625   0.00000   0.00000   0.00000   0.00000   2.09625
   A135       2.09674   0.00000   0.00000   0.00000   0.00000   2.09674
   A136       2.09188   0.00000   0.00000   0.00000   0.00000   2.09188
   A137       2.09456   0.00000   0.00000   0.00000   0.00000   2.09456
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   A139       2.09178   0.00000   0.00000   0.00000   0.00000   2.09178
   A140       2.09452   0.00000   0.00000   0.00000   0.00000   2.09452
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   A142       2.09569   0.00000   0.00000   0.00000   0.00000   2.09569
   A143       2.09626   0.00000   0.00000   0.00000   0.00000   2.09626
   A144       2.04737   0.00001   0.00002  -0.00002   0.00000   2.04737
   A145       2.11372  -0.00001  -0.00001   0.00001   0.00000   2.11372
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   A147       2.06847   0.00000   0.00000   0.00000   0.00000   2.06847
   A148       2.11513   0.00001   0.00002  -0.00001   0.00000   2.11514
   A149       2.09956  -0.00001  -0.00002   0.00001   0.00000   2.09955
   A150       2.06871   0.00000   0.00001   0.00000   0.00000   2.06871
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   A158       2.09289   0.00000   0.00000   0.00000   0.00000   2.09289
   A159       1.93828   0.00000  -0.00001   0.00002   0.00001   1.93828
   A160       1.92050   0.00000   0.00000   0.00001   0.00001   1.92051
   A161       1.92915   0.00000   0.00000  -0.00002  -0.00001   1.92913
   A162       1.88826   0.00000   0.00000   0.00000  -0.00001   1.88825
   A163       1.89246   0.00000   0.00000   0.00000   0.00000   1.89245
   A164       1.89404   0.00000   0.00001  -0.00001   0.00000   1.89405
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   A166       1.92628   0.00000   0.00000   0.00000   0.00000   1.92627
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   A168       1.89382   0.00000   0.00000   0.00000   0.00000   1.89382
   A169       1.88927   0.00000  -0.00001   0.00000  -0.00001   1.88926
   A170       1.89075   0.00000   0.00000   0.00000   0.00000   1.89074
   A171       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A172       2.09216   0.00000   0.00001   0.00000   0.00000   2.09216
   A173       2.09231   0.00000   0.00000   0.00000   0.00000   2.09231
    D1        0.60273   0.00000   0.00008  -0.00009  -0.00001   0.60272
    D2       -1.56755   0.00000   0.00010  -0.00010   0.00000  -1.56755
    D3        2.68853  -0.00001   0.00009  -0.00009   0.00000   2.68853
    D4        2.40300   0.00001  -0.00023   0.00046   0.00023   2.40323
    D5       -1.82822   0.00001  -0.00026   0.00046   0.00020  -1.82802
    D6        0.28414   0.00000  -0.00027   0.00048   0.00021   0.28435
    D7       -2.12032  -0.00001  -0.00007  -0.00002  -0.00009  -2.12041
    D8        1.11846   0.00000  -0.00008   0.00004  -0.00003   1.11843
    D9        0.92486   0.00000  -0.00004  -0.00005  -0.00009   0.92477
   D10       -1.23180  -0.00001  -0.00001  -0.00007  -0.00008  -1.23188
   D11        2.98791  -0.00001  -0.00003  -0.00006  -0.00009   2.98782
   D12       -2.65178   0.00000   0.00002   0.00001   0.00003  -2.65174
   D13        1.47474   0.00000   0.00005  -0.00001   0.00004   1.47479
   D14       -0.58872   0.00000   0.00004   0.00000   0.00003  -0.58869
   D15        2.58829   0.00000   0.00021   0.00006   0.00027   2.58856
   D16       -1.57433   0.00000   0.00021   0.00007   0.00029  -1.57405
   D17        0.46600   0.00000   0.00020   0.00006   0.00027   0.46627
   D18       -0.10790   0.00000   0.00015   0.00001   0.00016  -0.10774
   D19        2.01266   0.00000   0.00015   0.00002   0.00017   2.01283
   D20       -2.23019   0.00000   0.00014   0.00001   0.00015  -2.23004
   D21        0.08442   0.00000  -0.00008  -0.00007  -0.00015   0.08427
   D22       -3.13614   0.00000  -0.00012   0.00001  -0.00011  -3.13625
   D23        2.78257   0.00000  -0.00001  -0.00002  -0.00003   2.78254
   D24       -0.43799   0.00000  -0.00005   0.00006   0.00001  -0.43798
   D25       -0.85619   0.00001   0.00003   0.00009   0.00011  -0.85608
   D26       -3.04242   0.00000   0.00002   0.00008   0.00010  -3.04232
   D27        1.19398   0.00000   0.00004   0.00009   0.00013   1.19411
   D28        2.30061   0.00001  -0.00005   0.00007   0.00001   2.30063
   D29        0.11439   0.00000  -0.00006   0.00006   0.00000   0.11439
   D30       -1.93240   0.00000  -0.00004   0.00007   0.00003  -1.93237
   D31        0.09129   0.00000   0.00002  -0.00011  -0.00009   0.09120
   D32       -3.08819   0.00000  -0.00004  -0.00002  -0.00006  -3.08825
   D33       -3.06574   0.00000   0.00010  -0.00009   0.00001  -3.06572
   D34        0.03797   0.00001   0.00004   0.00000   0.00004   0.03801
   D35       -1.77508   0.00001   0.00032   0.00044   0.00077  -1.77432
   D36        2.36617   0.00000   0.00034   0.00043   0.00078   2.36695
   D37        0.28583   0.00000   0.00033   0.00046   0.00079   0.28662
   D38        0.99726   0.00000   0.00013  -0.00011   0.00002   0.99728
   D39       -1.14467   0.00000   0.00015  -0.00012   0.00003  -1.14464
   D40        3.05817   0.00000   0.00014  -0.00009   0.00005   3.05822
   D41       -0.15651   0.00000  -0.00028  -0.00034  -0.00061  -0.15712
   D42        3.05077   0.00000  -0.00027  -0.00025  -0.00052   3.05024
   D43       -2.92132   0.00000  -0.00008   0.00022   0.00014  -2.92119
   D44        0.28595   0.00000  -0.00007   0.00030   0.00023   0.28618
   D45       -2.90353   0.00000  -0.00014  -0.00004  -0.00018  -2.90372
   D46        0.31540   0.00000  -0.00010  -0.00011  -0.00022   0.31518
   D47       -0.22351   0.00000  -0.00026  -0.00016  -0.00042  -0.22393
   D48        2.99542   0.00000  -0.00023  -0.00023  -0.00046   2.99497
   D49        0.33621   0.00000   0.00014   0.00009   0.00023   0.33644
   D50        2.46934   0.00000   0.00015   0.00011   0.00025   2.46959
   D51       -1.77132   0.00000   0.00015   0.00010   0.00024  -1.77108
   D52       -2.33045   0.00000   0.00026   0.00022   0.00047  -2.32997
   D53       -0.19732   0.00000   0.00027   0.00023   0.00050  -0.19682
   D54        1.84520   0.00000   0.00027   0.00022   0.00049   1.84569
   D55       -0.90011   0.00000  -0.00011  -0.00004  -0.00014  -0.90026
   D56        1.22915   0.00000  -0.00009  -0.00005  -0.00014   1.22901
   D57       -3.02553   0.00000  -0.00009  -0.00005  -0.00013  -3.02566
   D58        1.30394   0.00001  -0.00010  -0.00004  -0.00015   1.30380
   D59       -2.84998   0.00000  -0.00009  -0.00006  -0.00015  -2.85012
   D60       -0.82147   0.00000  -0.00008  -0.00005  -0.00014  -0.82161
   D61       -2.96482   0.00001  -0.00012  -0.00004  -0.00016  -2.96498
   D62       -0.83556   0.00000  -0.00010  -0.00006  -0.00016  -0.83572
   D63        1.19295   0.00000  -0.00010  -0.00005  -0.00015   1.19280
   D64       -1.07899   0.00000  -0.00010   0.00010   0.00000  -1.07899
   D65        1.06184   0.00000  -0.00011   0.00008  -0.00003   1.06182
   D66        3.09835   0.00000  -0.00011   0.00009  -0.00002   3.09833
   D67        2.96569   0.00000  -0.00012   0.00010  -0.00002   2.96567
   D68       -1.17667   0.00000  -0.00013   0.00008  -0.00005  -1.17671
   D69        0.85984   0.00000  -0.00012   0.00009  -0.00003   0.85981
   D70        0.96780   0.00000  -0.00011   0.00009  -0.00002   0.96778
   D71        3.10864   0.00000  -0.00012   0.00008  -0.00005   3.10859
   D72       -1.13804   0.00000  -0.00012   0.00009  -0.00004  -1.13808
   D73        3.04750   0.00000   0.00009   0.00002   0.00011   3.04761
   D74        0.93364   0.00000   0.00010   0.00002   0.00012   0.93375
   D75       -1.17265   0.00000   0.00010   0.00002   0.00013  -1.17252
   D76       -1.06926   0.00000   0.00006   0.00003   0.00009  -1.06917
   D77        3.10007   0.00000   0.00006   0.00003   0.00009   3.10016
   D78        0.99378   0.00000   0.00007   0.00003   0.00010   0.99388
   D79        0.98332   0.00000   0.00006   0.00005   0.00011   0.98343
   D80       -1.13053   0.00000   0.00006   0.00005   0.00011  -1.13042
   D81        3.04637   0.00000   0.00007   0.00005   0.00012   3.04649
   D82        1.71290   0.00000  -0.00016   0.00003  -0.00013   1.71277
   D83       -1.39149   0.00000  -0.00010  -0.00006  -0.00016  -1.39165
   D84       -0.49240   0.00000  -0.00013   0.00002  -0.00011  -0.49251
   D85        2.68640   0.00000  -0.00007  -0.00007  -0.00014   2.68626
   D86       -2.52505   0.00000  -0.00012   0.00000  -0.00012  -2.52517
   D87        0.65375   0.00000  -0.00006  -0.00008  -0.00015   0.65360
   D88        1.40589  -0.00001  -0.00015  -0.00010  -0.00026   1.40563
   D89       -2.72116   0.00000  -0.00016  -0.00010  -0.00026  -2.72142
   D90       -0.61993   0.00000  -0.00017  -0.00009  -0.00026  -0.62019
   D91       -0.71080   0.00000  -0.00017  -0.00010  -0.00027  -0.71107
   D92        1.44534   0.00000  -0.00017  -0.00010  -0.00027   1.44507
   D93       -2.73661   0.00000  -0.00019  -0.00009  -0.00028  -2.73689
   D94       -2.76811   0.00000  -0.00016  -0.00010  -0.00026  -2.76837
   D95       -0.61197   0.00000  -0.00017  -0.00009  -0.00026  -0.61223
   D96        1.48926   0.00000  -0.00018  -0.00008  -0.00026   1.48899
   D97       -1.07023  -0.00001   0.00001   0.00016   0.00017  -1.07006
   D98        1.09444  -0.00001   0.00000   0.00013   0.00013   1.09456
   D99       -3.13180  -0.00001   0.00002   0.00013   0.00014  -3.13165
   D100       3.02213   0.00001   0.00001   0.00018   0.00019   3.02232
   D101      -1.09639   0.00001   0.00000   0.00015   0.00015  -1.09624
   D102       0.96056   0.00001   0.00002   0.00015   0.00017   0.96073
   D103       0.90663   0.00000   0.00003   0.00016   0.00018   0.90682
   D104       3.07130   0.00000   0.00001   0.00013   0.00014   3.07144
   D105      -1.15494   0.00000   0.00004   0.00012   0.00016  -1.15478
   D106      -1.06305   0.00000   0.00004  -0.00001   0.00003  -1.06302
   D107       3.13165   0.00000   0.00004  -0.00001   0.00003   3.13168
   D108       1.04639   0.00000   0.00004  -0.00001   0.00003   1.04642
   D109       1.06899   0.00000   0.00002  -0.00001   0.00001   1.06901
   D110      -1.01950   0.00000   0.00003  -0.00001   0.00002  -1.01948
   D111      -3.10476   0.00000   0.00003  -0.00001   0.00002  -3.10474
   D112      -3.12564   0.00000   0.00003  -0.00001   0.00001  -3.12562
   D113       1.06906   0.00000   0.00003  -0.00001   0.00002   1.06908
   D114      -1.01620   0.00000   0.00003  -0.00001   0.00002  -1.01618
   D115       0.90872   0.00000   0.00008   0.00004   0.00011   0.90884
   D116      -1.19633   0.00000   0.00008   0.00004   0.00012  -1.19621
   D117       2.99705   0.00000   0.00008   0.00003   0.00011   2.99716
   D118      -1.20072   0.00000   0.00008   0.00003   0.00011  -1.20061
   D119       2.97742   0.00000   0.00008   0.00003   0.00011   2.97753
   D120       0.88761   0.00000   0.00008   0.00003   0.00011   0.88772
   D121       3.00447   0.00000   0.00007   0.00003   0.00011   3.00458
   D122       0.89941   0.00000   0.00008   0.00003   0.00011   0.89953
   D123      -1.19039   0.00000   0.00008   0.00003   0.00011  -1.19028
   D124      -1.03455   0.00000  -0.00002  -0.00006  -0.00007  -1.03463
   D125       1.11363   0.00000  -0.00001  -0.00006  -0.00007   1.11356
   D126      -3.13663   0.00000  -0.00001  -0.00005  -0.00006  -3.13669
   D127       3.08939   0.00000  -0.00001  -0.00006  -0.00007   3.08933
   D128      -1.04561   0.00000   0.00000  -0.00006  -0.00006  -1.04567
   D129       0.98732   0.00000   0.00000  -0.00005  -0.00006   0.98727
   D130       1.03963   0.00000  -0.00002  -0.00006  -0.00008   1.03954
   D131      -3.09537   0.00000  -0.00002  -0.00006  -0.00008  -3.09545
   D132      -1.06244   0.00000  -0.00002  -0.00006  -0.00008  -1.06252
   D133      -1.55242   0.00000   0.00005   0.00003   0.00008  -1.55234
   D134       1.60104   0.00000   0.00004   0.00001   0.00005   1.60109
   D135       2.58913   0.00000   0.00005   0.00005   0.00010   2.58923
   D136      -0.54060   0.00000   0.00005   0.00003   0.00008  -0.54053
   D137       0.53282   0.00000   0.00006   0.00004   0.00010   0.53292
   D138      -2.59692   0.00000   0.00005   0.00002   0.00007  -2.59684
   D139       0.72334   0.00000  -0.00011  -0.00003  -0.00014   0.72320
   D140       2.82221   0.00000  -0.00011  -0.00003  -0.00014   2.82207
   D141      -1.40475   0.00000  -0.00011  -0.00004  -0.00015  -1.40490
   D142      -1.37883   0.00000  -0.00012  -0.00004  -0.00016  -1.37898
   D143       0.72004   0.00000  -0.00012  -0.00004  -0.00016   0.71988
   D144       2.77627   0.00000  -0.00012  -0.00005  -0.00017   2.77610
   D145       2.85191   0.00000  -0.00010  -0.00003  -0.00013   2.85178
   D146      -1.33240   0.00000  -0.00010  -0.00003  -0.00013  -1.33254
   D147       0.72383   0.00000  -0.00010  -0.00004  -0.00014   0.72368
   D148      -0.83420   0.00000  -0.00003  -0.00003  -0.00006  -0.83426
   D149      -2.96778   0.00000  -0.00004  -0.00004  -0.00008  -2.96786
   D150       1.26283   0.00000  -0.00005  -0.00003  -0.00009   1.26275
   D151      -2.92989   0.00000  -0.00003  -0.00002  -0.00005  -2.92995
   D152       1.21971   0.00000  -0.00003  -0.00004  -0.00007   1.21964
   D153      -0.83286   0.00000  -0.00005  -0.00003  -0.00008  -0.83294
   D154       1.28738   0.00000  -0.00003  -0.00002  -0.00005   1.28733
   D155      -0.84620   0.00000  -0.00004  -0.00004  -0.00007  -0.84627
   D156      -2.89877   0.00000  -0.00005  -0.00003  -0.00008  -2.89885
   D157      -1.27388   0.00000   0.00040  -0.00013   0.00027  -1.27362
   D158       1.88189   0.00000   0.00042  -0.00015   0.00027   1.88216
   D159       2.86973   0.00000   0.00040  -0.00014   0.00026   2.86999
   D160      -0.25769   0.00000   0.00042  -0.00015   0.00027  -0.25742
   D161       0.81250   0.00000   0.00040  -0.00015   0.00026   0.81276
   D162      -2.31491   0.00000   0.00042  -0.00016   0.00026  -2.31465
   D163      -3.12971   0.00000   0.00000  -0.00001  -0.00001  -3.12972
   D164       0.01042   0.00000   0.00001  -0.00002  -0.00002   0.01041
   D165       0.00018   0.00000   0.00001   0.00001   0.00002   0.00020
   D166       3.14032   0.00000   0.00001   0.00000   0.00001   3.14033
   D167       3.13051   0.00000  -0.00001   0.00001   0.00000   3.13052
   D168      -0.01686   0.00000  -0.00002   0.00000  -0.00002  -0.01688
   D169       0.00070   0.00000  -0.00002  -0.00001  -0.00002   0.00068
   D170       3.13651   0.00000  -0.00003  -0.00002  -0.00005   3.13646
   D171      -3.12629   0.00000   0.00002   0.00000   0.00002  -3.12627
   D172       0.02179   0.00000   0.00002   0.00000   0.00002   0.02181
   D173       0.00130   0.00000   0.00000   0.00001   0.00001   0.00131
   D174      -3.13381   0.00000   0.00000   0.00002   0.00001  -3.13379
   D175       3.12479   0.00000  -0.00001   0.00000  -0.00002   3.12477
   D176      -0.02014   0.00000  -0.00001  -0.00002  -0.00002  -0.02016
   D177      -0.00276   0.00000   0.00001  -0.00002  -0.00001  -0.00277
   D178       3.13550   0.00000   0.00001  -0.00003  -0.00002   3.13548
   D179       2.68836   0.00000   0.00039  -0.00052  -0.00014   2.68823
   D180       0.64396   0.00000   0.00041  -0.00052  -0.00011   0.64385
   D181      -1.43967   0.00000   0.00043  -0.00056  -0.00013  -1.43981
   D182      -0.51613   0.00000   0.00038  -0.00060  -0.00022  -0.51635
   D183      -2.56053   0.00000   0.00040  -0.00060  -0.00020  -2.56073
   D184       1.63901   0.00000   0.00042  -0.00064  -0.00022   1.63879
   D185      -0.00031   0.00000   0.00000   0.00000   0.00000  -0.00031
   D186       3.14059   0.00000   0.00000   0.00000   0.00000   3.14060
   D187      -3.14044   0.00000   0.00000   0.00001   0.00001  -3.14044
   D188       0.00046   0.00000   0.00000   0.00001   0.00001   0.00047
   D189      -0.00147   0.00000   0.00001   0.00000   0.00002  -0.00145
   D190       3.13791   0.00000   0.00002   0.00000   0.00002   3.13792
   D191      -3.13733   0.00000   0.00002   0.00002   0.00004  -3.13729
   D192       0.00205   0.00000   0.00003   0.00001   0.00004   0.00209
   D193       0.00121   0.00000   0.00000   0.00000  -0.00001   0.00120
   D194      -3.13828   0.00000  -0.00001   0.00000  -0.00001  -3.13829
   D195       3.13630   0.00000   0.00000   0.00000  -0.00001   3.13629
   D196      -0.00319   0.00000  -0.00001   0.00000  -0.00001  -0.00320
   D197       0.00172   0.00000  -0.00001   0.00001   0.00000   0.00172
   D198      -3.14049   0.00000  -0.00001   0.00001  -0.00001  -3.14050
   D199      -3.13654   0.00000  -0.00001   0.00002   0.00001  -3.13653
   D200       0.00443   0.00000  -0.00002   0.00002   0.00000   0.00443
   D201      -0.00045   0.00000  -0.00001   0.00000  -0.00001  -0.00046
   D202       3.14109   0.00000   0.00000   0.00000  -0.00001   3.14108
   D203      -3.14135   0.00000  -0.00001   0.00000  -0.00001  -3.14136
   D204       0.00019   0.00000  -0.00001   0.00000  -0.00001   0.00018
   D205       0.00134   0.00000   0.00000   0.00000   0.00000   0.00134
   D206      -3.14020   0.00000   0.00000   0.00000   0.00000  -3.14020
   D207      -3.13803   0.00000  -0.00001   0.00001   0.00000  -3.13803
   D208       0.00362   0.00000  -0.00001   0.00001   0.00000   0.00362
   D209      -0.00227   0.00000   0.00000  -0.00001   0.00000  -0.00227
   D210       3.14050   0.00000   0.00000   0.00000   0.00000   3.14050
   D211       3.13722   0.00000   0.00001  -0.00001   0.00000   3.13722
   D212      -0.00320   0.00000   0.00001   0.00000   0.00000  -0.00320
   D213       0.00081   0.00000   0.00000   0.00000   0.00001   0.00082
   D214       3.14123   0.00000   0.00001   0.00000   0.00001   3.14123
   D215      -3.14016   0.00000   0.00001   0.00000   0.00001  -3.14015
   D216       0.00026   0.00000   0.00001   0.00000   0.00001   0.00027
   D217      -3.05923   0.00000  -0.00001   0.00008   0.00006  -3.05916
   D218       0.07488   0.00000   0.00000   0.00003   0.00003   0.07491
   D219      -0.01507   0.00000  -0.00001   0.00001   0.00000  -0.01507
   D220       3.11903   0.00000   0.00000  -0.00003  -0.00003   3.11900
   D221       3.06300   0.00000   0.00002  -0.00008  -0.00006   3.06294
   D222      -0.06954   0.00000   0.00004  -0.00008  -0.00005  -0.06959
   D223       0.02254   0.00000   0.00002  -0.00002   0.00000   0.02254
   D224      -3.11000   0.00000   0.00003  -0.00002   0.00001  -3.10999
   D225      -0.00289   0.00000   0.00000  -0.00001  -0.00001  -0.00290
   D226       3.14027   0.00000   0.00001  -0.00001  -0.00001   3.14027
   D227      -3.13707   0.00000  -0.00001   0.00004   0.00002  -3.13704
   D228       0.00610   0.00000  -0.00001   0.00003   0.00003   0.00613
   D229      -2.85628   0.00000   0.00011  -0.00030  -0.00019  -2.85647
   D230       1.33662   0.00000   0.00012  -0.00031  -0.00019   1.33643
   D231      -0.75504   0.00000   0.00010  -0.00029  -0.00019  -0.75523
   D232       0.27769   0.00000   0.00012  -0.00034  -0.00022   0.27747
   D233      -1.81259   0.00000   0.00013  -0.00036  -0.00023  -1.81282
   D234       2.37893   0.00000   0.00011  -0.00034  -0.00023   2.37870
   D235      -0.01224   0.00000  -0.00002   0.00001   0.00000  -0.01224
   D236       3.13639   0.00000  -0.00002   0.00001  -0.00001   3.13638
   D237       3.12044   0.00000  -0.00003   0.00001  -0.00002   3.12042
   D238      -0.01413   0.00000  -0.00003   0.00001  -0.00002  -0.01415
   D239       2.82442   0.00000   0.00001   0.00011   0.00012   2.82454
   D240       0.72374   0.00000   0.00001   0.00010   0.00011   0.72385
   D241      -1.36475   0.00000   0.00000   0.00011   0.00011  -1.36464
   D242      -0.30798   0.00000   0.00002   0.00011   0.00013  -0.30786
   D243      -2.40866   0.00000   0.00003   0.00010   0.00012  -2.40854
   D244       1.78603   0.00000   0.00002   0.00011   0.00013   1.78615
   D245       0.01299   0.00000   0.00000   0.00001   0.00001   0.01300
   D246      -3.13370   0.00000   0.00001  -0.00001   0.00000  -3.13370
   D247      -3.13019   0.00000   0.00000   0.00001   0.00001  -3.13018
   D248       0.00631   0.00000   0.00000   0.00000   0.00000   0.00630
   D249      -0.00524   0.00000   0.00001  -0.00001   0.00000  -0.00524
   D250       3.14145   0.00000   0.00000   0.00001   0.00001   3.14146
   D251       3.12929   0.00000   0.00001   0.00000   0.00000   3.12930
   D252      -0.00720   0.00000   0.00000   0.00001   0.00001  -0.00719
         Item               Value     Threshold  Converged?
 Maximum Force            0.000025     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.004167     0.001800     NO 
 RMS     Displacement     0.000666     0.001200     YES
 Predicted change in Energy=-2.347148D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.247861    0.006885   -0.929547
      2          8           0       -2.635422    0.230642   -2.480370
      3          8           0       -3.518763   -2.173992    1.262891
      4          8           0        2.347928    2.300853    2.271623
      5          8           0        3.448585   -0.996176    1.580036
      6          7           0       -2.719585   -2.633011   -0.877939
      7          7           0       -3.205681    0.393151   -0.252844
      8          7           0        2.131522    1.100006    0.318926
      9          7           0       -1.744563   -3.620277    1.110511
     10          6           0       -2.808345    1.765216   -0.039319
     11          6           0       -3.699218   -1.722099   -1.437885
     12          6           0       -1.422878    2.133655   -0.597070
     13          6           0       -0.299229    1.202381   -0.168058
     14          6           0       -4.174007   -2.098681   -2.857728
     15          6           0        1.082188    1.924124   -0.236468
     16          6           0       -2.879524    2.147184    1.454912
     17          6           0       -3.141173   -0.267385   -1.450356
     18          6           0       -1.534753   -2.918875   -1.661261
     19          6           0       -0.280036   -3.198720   -0.838233
     20          6           0        1.381205    2.324564   -1.693560
     21          6           0       -2.677145   -2.758743    0.527674
     22          6           0       -5.285686   -1.155581   -3.277633
     23          6           0       -4.673083   -3.527431   -2.910403
     24          6           0       -0.599125   -4.075165    0.369488
     25          6           0       -4.260275    2.042479    1.998980
     26          6           0        2.652019    3.083061   -1.834176
     27          6           0        2.637597    1.301300    1.581496
     28          6           0       -5.125102    3.141661    1.929711
     29          6           0       -4.705027    0.856300    2.595927
     30          6           0        2.732794    4.411052   -1.396715
     31          6           0        3.774481    2.486035   -2.419232
     32          6           0        3.660203    0.307694    2.132386
     33          6           0       -6.415169    3.056552    2.449587
     34          6           0       -5.997024    0.774405    3.114178
     35          6           0       -6.853296    1.872731    3.043025
     36          6           0        3.917475    5.129484   -1.544229
     37          6           0        4.958353    3.207326   -2.567427
     38          6           0        5.031957    4.529566   -2.131006
     39          6           0        4.615965   -1.661242    1.212917
     40          6           0        4.737784   -2.057409   -0.133006
     41          6           0        5.576863   -2.026723    2.173180
     42          6           0        5.852554   -2.814120   -0.507950
     43          6           0        6.683444   -2.776571    1.759488
     44          6           0        3.709980   -1.694799   -1.134958
     45          6           0        5.431083   -1.645200    3.596381
     46          6           0        6.821621   -3.164350    0.429273
     47          1           0       -3.550978    2.422954   -0.592781
     48          1           0       -4.611529   -1.757695   -0.763186
     49          1           0       -1.491598    2.139825   -1.719863
     50          1           0       -1.188281    3.177106   -0.260230
     51          1           0       -0.471112    0.849527    0.890560
     52          1           0       -3.309969   -1.974417   -3.569110
     53          1           0        1.012523    2.865840    0.387519
     54          1           0       -3.565859   -0.098522    0.540433
     55          1           0       -2.184493    1.496791    2.050126
     56          1           0       -2.515823    3.204955    1.551865
     57          1           0       -1.765755   -3.817415   -2.304048
     58          1           0       -1.324303   -2.042067   -2.343889
     59          1           0        0.467701   -3.722773   -1.485305
     60          1           0        0.173326   -2.227001   -0.502608
     61          1           0        1.405510    1.403380   -2.335239
     62          1           0        0.529247    2.963515   -2.051528
     63          1           0       -6.157338   -1.237234   -2.584564
     64          1           0       -5.628689   -1.414153   -4.308531
     65          1           0       -4.923686   -0.098701   -3.281437
     66          1           0       -5.433626   -3.707527   -2.112717
     67          1           0       -3.837738   -4.254394   -2.772015
     68          1           0       -5.146994   -3.725957   -3.902727
     69          1           0        0.297265   -4.113174    1.051156
     70          1           0       -0.808010   -5.127310    0.016112
     71          1           0        2.247502    0.201629   -0.096416
     72          1           0       -1.676170   -3.567556    2.100746
     73          1           0       -0.512555    0.214913   -1.837484
     74          1           0       -4.782394    4.077252    1.463301
     75          1           0       -4.039594   -0.021644    2.655341
     76          1           0        1.856795    4.884755   -0.929122
     77          1           0        3.723067    1.441374   -2.760942
     78          1           0        3.503589    0.228891    3.242290
     79          1           0        4.687946    0.696313    1.914409
     80          1           0       -7.087481    3.924965    2.391784
     81          1           0       -6.338977   -0.162666    3.578248
     82          1           0       -7.871162    1.806059    3.453583
     83          1           0        3.973322    6.170988   -1.195111
     84          1           0        5.835444    2.730922   -3.029179
     85          1           0        5.965984    5.097733   -2.247858
     86          1           0        5.962045   -3.132797   -1.555686
     87          1           0        7.446621   -3.066209    2.497750
     88          1           0        3.807506   -2.321695   -2.055264
     89          1           0        3.824013   -0.620120   -1.430176
     90          1           0        2.682513   -1.841027   -0.714228
     91          1           0        6.082843   -2.276095    4.249452
     92          1           0        4.369265   -1.771027    3.926542
     93          1           0        5.720656   -0.573689    3.742564
     94          1           0        7.697024   -3.753657    0.118265
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832544      0.0419776      0.0367771
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.8687489502 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893693943     A.U. after    9 cycles
             Convg  =    0.5403D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000009226    0.000011542    0.000009118
      2        8           0.000002633   -0.000001448    0.000001779
      3        8           0.000011177   -0.000004957    0.000011765
      4        8          -0.000001474    0.000002343    0.000005226
      5        8          -0.000001767   -0.000006979    0.000007446
      6        7           0.000018443    0.000015109   -0.000018933
      7        7          -0.000000558    0.000021423    0.000001470
      8        7           0.000003522   -0.000018218    0.000004403
      9        7           0.000030070    0.000008262   -0.000002843
     10        6           0.000002541   -0.000007977   -0.000007408
     11        6          -0.000003865   -0.000005373   -0.000005288
     12        6          -0.000001304    0.000009351   -0.000000542
     13        6           0.000000672   -0.000004617   -0.000016085
     14        6          -0.000001062   -0.000003050    0.000000482
     15        6          -0.000005412    0.000002341    0.000001444
     16        6          -0.000002179    0.000004010    0.000007790
     17        6           0.000000761    0.000000269   -0.000006255
     18        6          -0.000001445    0.000001228    0.000002936
     19        6           0.000003051   -0.000000680   -0.000002097
     20        6           0.000004571   -0.000001323    0.000000209
     21        6          -0.000044614   -0.000014722    0.000007680
     22        6          -0.000001059    0.000000345    0.000002226
     23        6           0.000002003    0.000005799    0.000006779
     24        6          -0.000009312   -0.000001304   -0.000000390
     25        6           0.000005504   -0.000001717   -0.000003040
     26        6          -0.000002179   -0.000001806   -0.000004033
     27        6          -0.000004036    0.000007575   -0.000014700
     28        6           0.000003784   -0.000000729    0.000000705
     29        6          -0.000003828    0.000000983    0.000000913
     30        6           0.000002041    0.000000225    0.000001018
     31        6          -0.000001726    0.000002437    0.000002272
     32        6           0.000006164   -0.000001143   -0.000004466
     33        6          -0.000001320    0.000003483   -0.000001190
     34        6           0.000005985   -0.000001699    0.000002645
     35        6          -0.000005015   -0.000000153   -0.000002568
     36        6          -0.000001934    0.000001362   -0.000001190
     37        6           0.000000831   -0.000001274   -0.000000394
     38        6           0.000001940   -0.000001683    0.000000534
     39        6           0.000009632    0.000007332   -0.000009543
     40        6           0.000001342   -0.000000714    0.000011293
     41        6          -0.000003971   -0.000000751   -0.000000530
     42        6          -0.000008465    0.000002153    0.000001382
     43        6           0.000000755   -0.000005774    0.000007324
     44        6           0.000001067   -0.000004284   -0.000003923
     45        6           0.000002309    0.000000907    0.000000174
     46        6           0.000004224    0.000004014   -0.000008326
     47        1           0.000002010   -0.000003241    0.000002476
     48        1           0.000004417   -0.000002481    0.000001481
     49        1           0.000000495    0.000002454    0.000004091
     50        1          -0.000002164    0.000001539    0.000000173
     51        1          -0.000001785   -0.000000739   -0.000002267
     52        1           0.000000341    0.000000211    0.000000806
     53        1           0.000000133    0.000000460   -0.000000821
     54        1           0.000000156   -0.000012280    0.000003537
     55        1          -0.000000244    0.000000239    0.000000537
     56        1          -0.000003242   -0.000002535   -0.000000164
     57        1          -0.000002777   -0.000001407   -0.000001832
     58        1          -0.000002653   -0.000000463    0.000001732
     59        1           0.000000438   -0.000000572   -0.000000354
     60        1          -0.000000336   -0.000000178    0.000001089
     61        1          -0.000001313   -0.000002222    0.000000614
     62        1          -0.000000005   -0.000002404    0.000002847
     63        1          -0.000000148   -0.000001024    0.000000118
     64        1           0.000000344   -0.000000436   -0.000001228
     65        1          -0.000001889    0.000000841    0.000000468
     66        1          -0.000000463   -0.000001728    0.000001054
     67        1          -0.000001091   -0.000001111   -0.000000962
     68        1          -0.000000055    0.000000326   -0.000003105
     69        1           0.000001981    0.000002786    0.000001110
     70        1           0.000000958    0.000001072    0.000002862
     71        1          -0.000001277    0.000007146    0.000000589
     72        1          -0.000005440   -0.000003107   -0.000004216
     73        1          -0.000012981   -0.000005195    0.000005433
     74        1          -0.000001507    0.000000560   -0.000000820
     75        1          -0.000000826    0.000001920   -0.000003713
     76        1          -0.000000048   -0.000000182    0.000000334
     77        1           0.000001058   -0.000000330   -0.000000849
     78        1          -0.000000360   -0.000002658   -0.000000750
     79        1          -0.000000148    0.000002494    0.000001482
     80        1           0.000000028   -0.000000938    0.000000834
     81        1          -0.000000718    0.000000224   -0.000000248
     82        1           0.000001089   -0.000000283    0.000000518
     83        1           0.000000446    0.000000035    0.000000095
     84        1          -0.000000690    0.000000326    0.000000769
     85        1          -0.000000546    0.000000517   -0.000000160
     86        1           0.000001135   -0.000000655   -0.000001711
     87        1          -0.000000797    0.000001391   -0.000000848
     88        1           0.000000162   -0.000001212   -0.000000571
     89        1           0.000002155    0.000002091    0.000003286
     90        1          -0.000000642    0.000002044   -0.000000424
     91        1          -0.000001721    0.000000004    0.000001089
     92        1           0.000001150   -0.000000043   -0.000000600
     93        1           0.000000792   -0.000000056   -0.000000459
     94        1          -0.000001148   -0.000001319    0.000001411
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000044614 RMS     0.000005575

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000025186 RMS     0.000003208
 Search for a local minimum.
 Step number  45 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45
 DE= -3.11D-08 DEPred=-2.35D-08 R= 1.33D+00
 Trust test= 1.33D+00 RLast= 2.69D-03 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00051   0.00169   0.00188   0.00195   0.00224
     Eigenvalues ---    0.00238   0.00249   0.00287   0.00329   0.00381
     Eigenvalues ---    0.00412   0.00480   0.00492   0.00547   0.00555
     Eigenvalues ---    0.00606   0.00664   0.00705   0.00769   0.00982
     Eigenvalues ---    0.01062   0.01224   0.01383   0.01419   0.01447
     Eigenvalues ---    0.01474   0.01497   0.01553   0.01724   0.01941
     Eigenvalues ---    0.01956   0.02071   0.02116   0.02123   0.02140
     Eigenvalues ---    0.02151   0.02152   0.02157   0.02160   0.02162
     Eigenvalues ---    0.02170   0.02172   0.02176   0.02176   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02180   0.02186   0.02187
     Eigenvalues ---    0.02190   0.02200   0.02286   0.02320   0.02638
     Eigenvalues ---    0.03137   0.03195   0.03399   0.03478   0.03820
     Eigenvalues ---    0.03969   0.04005   0.04055   0.04282   0.04358
     Eigenvalues ---    0.04398   0.04490   0.04639   0.04716   0.04873
     Eigenvalues ---    0.04919   0.05030   0.05058   0.05092   0.05302
     Eigenvalues ---    0.05359   0.05441   0.05447   0.05518   0.05591
     Eigenvalues ---    0.05606   0.05646   0.05678   0.05730   0.05922
     Eigenvalues ---    0.06072   0.06512   0.06907   0.07042   0.07117
     Eigenvalues ---    0.07196   0.07281   0.07391   0.07551   0.07585
     Eigenvalues ---    0.07903   0.08083   0.08330   0.08794   0.09244
     Eigenvalues ---    0.09452   0.09518   0.09778   0.11102   0.11667
     Eigenvalues ---    0.12168   0.12614   0.12897   0.13014   0.14093
     Eigenvalues ---    0.14545   0.15355   0.15737   0.15904   0.15975
     Eigenvalues ---    0.15981   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16003   0.16007   0.16008
     Eigenvalues ---    0.16011   0.16013   0.16021   0.16028   0.16043
     Eigenvalues ---    0.16094   0.16205   0.16237   0.16669   0.16930
     Eigenvalues ---    0.17670   0.17857   0.19209   0.19478   0.19766
     Eigenvalues ---    0.20372   0.20772   0.21146   0.21778   0.21963
     Eigenvalues ---    0.22000   0.22001   0.22007   0.22078   0.22216
     Eigenvalues ---    0.22523   0.22834   0.23296   0.23417   0.23480
     Eigenvalues ---    0.23542   0.23718   0.23992   0.24181   0.24697
     Eigenvalues ---    0.24745   0.24882   0.24978   0.25020   0.25261
     Eigenvalues ---    0.25468   0.26256   0.26702   0.26775   0.27363
     Eigenvalues ---    0.28003   0.28307   0.28418   0.28615   0.28892
     Eigenvalues ---    0.29315   0.29454   0.29982   0.30474   0.30845
     Eigenvalues ---    0.31209   0.31457   0.32081   0.32358   0.33236
     Eigenvalues ---    0.34031   0.34335   0.34450   0.34481   0.34554
     Eigenvalues ---    0.34601   0.34649   0.34670   0.34702   0.34704
     Eigenvalues ---    0.34722   0.34730   0.34739   0.34748   0.34754
     Eigenvalues ---    0.34760   0.34776   0.34783   0.34793   0.34795
     Eigenvalues ---    0.34818   0.34820   0.34825   0.34836   0.34843
     Eigenvalues ---    0.34881   0.34915   0.34967   0.35055   0.35139
     Eigenvalues ---    0.35495   0.35885   0.35898   0.35925   0.35945
     Eigenvalues ---    0.35967   0.35982   0.35994   0.35998   0.36014
     Eigenvalues ---    0.36022   0.36036   0.36042   0.36096   0.36562
     Eigenvalues ---    0.37134   0.39029   0.39214   0.40931   0.41087
     Eigenvalues ---    0.42238   0.42316   0.42372   0.42438   0.43452
     Eigenvalues ---    0.43868   0.44867   0.45388   0.45779   0.46101
     Eigenvalues ---    0.46136   0.46241   0.46339   0.46413   0.46505
     Eigenvalues ---    0.46705   0.46775   0.46791   0.46957   0.47126
     Eigenvalues ---    0.47656   0.48119   0.50636   0.51310   0.52666
     Eigenvalues ---    0.55579   0.56086   0.58087   0.59439   0.61229
     Eigenvalues ---    0.67841   0.78908   0.87820   0.91702   0.92101
     Eigenvalues ---    0.972121000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    45   44   43   42   41
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.38271     -0.09832     -0.30388     -0.11000      0.12949
 Iteration  1 RMS(Cart)=  0.00101835 RMS(Int)=  0.00000015
 Iteration  2 RMS(Cart)=  0.00000056 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68029   0.00001  -0.00001   0.00002   0.00002   2.68031
    R2        1.82990   0.00001   0.00000   0.00002   0.00002   1.82992
    R3        2.36385   0.00000   0.00000   0.00000   0.00001   2.36386
    R4        2.38345  -0.00002  -0.00001  -0.00001  -0.00001   2.38344
    R5        2.35973   0.00000   0.00000  -0.00001  -0.00001   2.35972
    R6        2.70564   0.00001  -0.00001   0.00002   0.00001   2.70565
    R7        2.63199   0.00000  -0.00001   0.00001   0.00000   2.63200
    R8        2.74042   0.00000   0.00002   0.00000   0.00002   2.74044
    R9        2.73791   0.00000   0.00000   0.00000   0.00000   2.73791
   R10        2.66803  -0.00003   0.00001  -0.00003  -0.00002   2.66802
   R11        2.72935   0.00000   0.00000   0.00001   0.00001   2.72936
   R12        2.58727   0.00000  -0.00001   0.00000  -0.00001   2.58726
   R13        1.89044  -0.00001   0.00001  -0.00001   0.00000   1.89044
   R14        2.73112   0.00001   0.00002   0.00001   0.00004   2.73115
   R15        2.59843   0.00001   0.00002   0.00003   0.00005   2.59849
   R16        1.88314   0.00000   0.00002   0.00001   0.00003   1.88317
   R17        2.63997   0.00002   0.00002   0.00003   0.00005   2.64003
   R18        2.71757   0.00000   0.00002   0.00001   0.00002   2.71759
   R19        1.87838   0.00000   0.00002   0.00000   0.00002   1.87840
   R20        2.90696  -0.00001   0.00000  -0.00002  -0.00002   2.90694
   R21        2.91759   0.00000   0.00001  -0.00001   0.00000   2.91759
   R22        2.14668   0.00000  -0.00001   0.00000  -0.00001   2.14668
   R23        2.91728   0.00001   0.00000  -0.00001  -0.00002   2.91726
   R24        2.94443  -0.00001   0.00002   0.00000   0.00001   2.94445
   R25        2.14532   0.00000  -0.00001   0.00000  -0.00001   2.14530
   R26        2.87456   0.00000   0.00001  -0.00002  -0.00001   2.87456
   R27        2.12577   0.00000   0.00000   0.00000   0.00000   2.12578
   R28        2.11893   0.00000   0.00000   0.00000   0.00000   2.11893
   R29        2.94816   0.00001   0.00000  -0.00001  -0.00001   2.94815
   R30        2.13357   0.00000   0.00000   0.00001   0.00000   2.13357
   R31        2.86690   0.00000   0.00000  -0.00001   0.00000   2.86690
   R32        2.86166   0.00000   0.00001   0.00000   0.00001   2.86167
   R33        2.12799   0.00000   0.00000   0.00000   0.00000   2.12799
   R34        2.91096   0.00001  -0.00001   0.00001   0.00000   2.91097
   R35        2.13885   0.00000  -0.00001   0.00000  -0.00001   2.13885
   R36        2.81147   0.00000   0.00000  -0.00001   0.00000   2.81147
   R37        2.12151   0.00000   0.00000   0.00000   0.00000   2.12151
   R38        2.12168   0.00000  -0.00001   0.00001  -0.00001   2.12168
   R39        2.88454   0.00000   0.00000   0.00001   0.00001   2.88456
   R40        2.13289   0.00000   0.00000   0.00000   0.00000   2.13288
   R41        2.13720   0.00000   0.00000   0.00000   0.00001   2.13720
   R42        2.88365   0.00000  -0.00001   0.00000   0.00000   2.88365
   R43        2.11484   0.00000   0.00000   0.00000   0.00000   2.11485
   R44        2.12325   0.00000   0.00000   0.00000   0.00000   2.12325
   R45        2.80932   0.00000   0.00000   0.00001   0.00001   2.80933
   R46        2.12199   0.00000   0.00000   0.00000   0.00000   2.12199
   R47        2.12309   0.00000   0.00000   0.00000   0.00000   2.12309
   R48        2.11006   0.00000   0.00000   0.00000   0.00000   2.11006
   R49        2.11046   0.00000   0.00000   0.00000   0.00000   2.11046
   R50        2.11113   0.00000   0.00000   0.00000   0.00000   2.11113
   R51        2.11038   0.00000   0.00000   0.00000   0.00000   2.11038
   R52        2.10891   0.00000   0.00000   0.00000   0.00000   2.10891
   R53        2.11169   0.00000   0.00000   0.00000  -0.00001   2.11168
   R54        2.12930   0.00000  -0.00001   0.00000   0.00000   2.12930
   R55        2.13423   0.00000  -0.00001   0.00001   0.00000   2.13423
   R56        2.64624   0.00000   0.00000   0.00000   0.00000   2.64624
   R57        2.64641   0.00000   0.00000   0.00000   0.00000   2.64641
   R58        2.64660   0.00000   0.00000   0.00000   0.00000   2.64660
   R59        2.64471   0.00000   0.00000   0.00000   0.00000   2.64470
   R60        2.88854   0.00001   0.00000   0.00002   0.00002   2.88856
   R61        2.63330   0.00000   0.00000   0.00000   0.00000   2.63330
   R62        2.07897   0.00000   0.00000   0.00000   0.00000   2.07897
   R63        2.63517   0.00000   0.00000   0.00000   0.00000   2.63516
   R64        2.08480   0.00000   0.00000   0.00000   0.00000   2.08480
   R65        2.63302   0.00000   0.00000   0.00000   0.00000   2.63301
   R66        2.07905   0.00000   0.00000   0.00000   0.00000   2.07905
   R67        2.63464   0.00000   0.00000   0.00000   0.00000   2.63465
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12342   0.00000   0.00000  -0.00001   0.00000   2.12342
   R70        2.11683   0.00000  -0.00001   0.00000  -0.00001   2.11682
   R71        2.63585   0.00000   0.00000   0.00000   0.00000   2.63585
   R72        2.07826   0.00000   0.00000   0.00000   0.00000   2.07826
   R73        2.63519   0.00000   0.00000   0.00000   0.00000   2.63519
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63634   0.00000   0.00000   0.00000   0.00000   2.63634
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63493   0.00000   0.00000   0.00000   0.00000   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66129   0.00001   0.00000   0.00001   0.00001   2.66130
   R82        2.65841   0.00000   0.00000   0.00001   0.00001   2.65842
   R83        2.64285  -0.00001   0.00000  -0.00001  -0.00001   2.64284
   R84        2.79767   0.00000   0.00001  -0.00001   0.00000   2.79767
   R85        2.64422   0.00000   0.00000   0.00001   0.00000   2.64423
   R86        2.79801   0.00000   0.00000   0.00001   0.00001   2.79802
   R87        2.63218   0.00000   0.00000   0.00001   0.00000   2.63218
   R88        2.07981   0.00000   0.00000   0.00000   0.00000   2.07981
   R89        2.63136  -0.00001   0.00000  -0.00001  -0.00001   2.63135
   R90        2.07987   0.00000   0.00000   0.00000   0.00000   2.07987
   R91        2.11233   0.00000   0.00000   0.00000   0.00000   2.11233
   R92        2.11708   0.00000   0.00000  -0.00001  -0.00001   2.11706
   R93        2.11623   0.00000   0.00000   0.00001   0.00001   2.11623
   R94        2.11221   0.00000   0.00000   0.00000   0.00000   2.11220
   R95        2.11472   0.00000   0.00000   0.00000   0.00000   2.11472
   R96        2.11561   0.00000   0.00000   0.00000   0.00000   2.11561
   R97        2.07899   0.00000   0.00000   0.00000   0.00000   2.07899
    A1        1.88853  -0.00001  -0.00003  -0.00001  -0.00004   1.88849
    A2        1.99617   0.00001   0.00001   0.00003   0.00005   1.99621
    A3        2.05738   0.00000  -0.00001  -0.00001  -0.00002   2.05736
    A4        2.04954  -0.00001   0.00000  -0.00001  -0.00002   2.04952
    A5        2.08991   0.00001   0.00002   0.00000   0.00003   2.08994
    A6        2.18299  -0.00001   0.00001  -0.00001   0.00000   2.18299
    A7        2.03613   0.00001  -0.00001   0.00000  -0.00001   2.03612
    A8        2.06397   0.00001   0.00000   0.00001   0.00001   2.06398
    A9        2.13721   0.00000  -0.00003  -0.00006  -0.00010   2.13711
   A10        2.02462   0.00000  -0.00005  -0.00006  -0.00011   2.02451
   A11        2.06218   0.00000  -0.00006  -0.00008  -0.00014   2.06204
   A12        2.10808  -0.00001  -0.00002  -0.00003  -0.00006   2.10802
   A13        2.01401   0.00000  -0.00002  -0.00004  -0.00006   2.01395
   A14        2.06611   0.00001  -0.00004   0.00001  -0.00003   2.06608
   A15        2.00612  -0.00001   0.00001   0.00000   0.00002   2.00613
   A16        1.94488   0.00001  -0.00003   0.00002  -0.00001   1.94487
   A17        1.87357   0.00000   0.00000   0.00000   0.00000   1.87357
   A18        1.91047   0.00000   0.00001  -0.00002  -0.00001   1.91046
   A19        1.84779   0.00000   0.00001  -0.00001   0.00000   1.84779
   A20        1.87355   0.00000  -0.00001   0.00001   0.00000   1.87355
   A21        1.99288   0.00000   0.00000  -0.00001  -0.00001   1.99288
   A22        1.92581   0.00000  -0.00002   0.00000  -0.00002   1.92579
   A23        1.86889   0.00000   0.00001  -0.00001   0.00000   1.86889
   A24        1.90767   0.00000   0.00000   0.00000   0.00001   1.90767
   A25        1.86691   0.00000   0.00000   0.00000   0.00000   1.86691
   A26        1.89848   0.00000   0.00001   0.00001   0.00002   1.89849
   A27        2.00028   0.00000   0.00001   0.00000   0.00001   2.00029
   A28        1.88408   0.00000   0.00000  -0.00001   0.00000   1.88408
   A29        1.87801   0.00000  -0.00001   0.00000  -0.00001   1.87800
   A30        1.90708   0.00000  -0.00001  -0.00001  -0.00002   1.90707
   A31        1.90757   0.00000  -0.00001   0.00001   0.00000   1.90757
   A32        1.88338   0.00000   0.00000   0.00001   0.00002   1.88339
   A33        1.97290  -0.00002  -0.00001  -0.00004  -0.00005   1.97285
   A34        1.91169   0.00001   0.00001   0.00001   0.00002   1.91171
   A35        1.81882   0.00000  -0.00002   0.00004   0.00002   1.81885
   A36        1.93744   0.00001   0.00001   0.00003   0.00004   1.93748
   A37        1.92124   0.00000   0.00000  -0.00001  -0.00001   1.92123
   A38        1.89705  -0.00001   0.00000  -0.00001  -0.00002   1.89704
   A39        1.90529   0.00000   0.00001   0.00000   0.00002   1.90530
   A40        1.94283   0.00000  -0.00001   0.00000  -0.00001   1.94281
   A41        1.89454   0.00000   0.00001   0.00001   0.00001   1.89455
   A42        1.91282   0.00000   0.00000  -0.00001  -0.00001   1.91281
   A43        1.89526   0.00000  -0.00001   0.00000   0.00000   1.89525
   A44        1.91242   0.00000   0.00000   0.00000  -0.00001   1.91241
   A45        1.94148   0.00000   0.00002   0.00001   0.00003   1.94151
   A46        1.95067  -0.00001  -0.00004  -0.00003  -0.00006   1.95060
   A47        1.88312   0.00000  -0.00001  -0.00002  -0.00003   1.88309
   A48        1.91094   0.00001   0.00001   0.00004   0.00005   1.91099
   A49        1.88204   0.00000   0.00001  -0.00002  -0.00001   1.88203
   A50        1.89351   0.00000   0.00001   0.00001   0.00002   1.89353
   A51        1.95984   0.00001  -0.00003   0.00003   0.00000   1.95984
   A52        1.91904   0.00000   0.00000  -0.00001  -0.00001   1.91904
   A53        1.87730  -0.00001   0.00002  -0.00002   0.00000   1.87730
   A54        1.91761   0.00000   0.00000   0.00001   0.00000   1.91761
   A55        1.91279   0.00000   0.00002  -0.00002   0.00000   1.91279
   A56        1.87494   0.00000   0.00000   0.00001   0.00000   1.87494
   A57        2.14978   0.00000   0.00001   0.00001   0.00002   2.14980
   A58        2.12129   0.00000  -0.00002  -0.00002  -0.00004   2.12125
   A59        2.01148   0.00000   0.00001   0.00001   0.00002   2.01149
   A60        2.00079   0.00000   0.00001   0.00000   0.00001   2.00080
   A61        1.87298   0.00000   0.00001  -0.00001   0.00000   1.87299
   A62        1.90238   0.00000   0.00000   0.00000   0.00000   1.90238
   A63        1.90641   0.00000   0.00000   0.00001   0.00001   1.90642
   A64        1.89085   0.00000   0.00000   0.00001   0.00001   1.89086
   A65        1.88761   0.00000  -0.00002  -0.00001  -0.00003   1.88758
   A66        1.93923   0.00000   0.00001  -0.00001   0.00000   1.93922
   A67        1.90002   0.00000  -0.00001   0.00001   0.00000   1.90002
   A68        1.91153   0.00000   0.00000   0.00000   0.00000   1.91153
   A69        1.90537   0.00000  -0.00001   0.00001   0.00000   1.90537
   A70        1.92270   0.00000   0.00001   0.00000   0.00001   1.92271
   A71        1.88399   0.00000   0.00000  -0.00001   0.00000   1.88399
   A72        1.96930   0.00000   0.00001  -0.00001   0.00000   1.96930
   A73        1.90867   0.00000  -0.00001   0.00002   0.00001   1.90868
   A74        1.87762   0.00000   0.00001   0.00001   0.00002   1.87764
   A75        1.92410   0.00000   0.00000  -0.00001  -0.00001   1.92409
   A76        1.90490   0.00000  -0.00001   0.00000  -0.00001   1.90489
   A77        1.87642   0.00000   0.00001  -0.00002  -0.00001   1.87641
   A78        2.11647   0.00000   0.00000   0.00001   0.00001   2.11647
   A79        2.08078   0.00000   0.00001  -0.00002  -0.00001   2.08077
   A80        2.08328   0.00000  -0.00001   0.00001   0.00000   2.08327
   A81        1.93346   0.00000   0.00000   0.00000   0.00000   1.93346
   A82        1.91412   0.00000   0.00000   0.00000  -0.00001   1.91411
   A83        1.93008   0.00000   0.00000   0.00001   0.00001   1.93009
   A84        1.89259   0.00000   0.00000   0.00000   0.00000   1.89259
   A85        1.90101   0.00000   0.00000   0.00000   0.00000   1.90101
   A86        1.89169   0.00000   0.00000   0.00000   0.00000   1.89168
   A87        1.93024   0.00000   0.00000   0.00000   0.00000   1.93024
   A88        1.94292   0.00000   0.00000  -0.00001   0.00000   1.94291
   A89        1.91588   0.00000   0.00000  -0.00001   0.00000   1.91588
   A90        1.89245   0.00000   0.00000   0.00001   0.00000   1.89246
   A91        1.89318   0.00000   0.00000   0.00000   0.00000   1.89318
   A92        1.88792   0.00000   0.00000   0.00001   0.00001   1.88793
   A93        1.97436   0.00000   0.00001   0.00001   0.00002   1.97438
   A94        1.90984   0.00000   0.00000   0.00001   0.00000   1.90984
   A95        1.88451   0.00000  -0.00002  -0.00001  -0.00003   1.88448
   A96        1.90904   0.00000   0.00001   0.00001   0.00002   1.90905
   A97        1.90298   0.00000   0.00000  -0.00001  -0.00001   1.90297
   A98        1.88074   0.00000   0.00001  -0.00001   0.00000   1.88074
   A99        2.09420   0.00000   0.00001   0.00000   0.00001   2.09421
   A100       2.10625   0.00000  -0.00002   0.00001  -0.00001   2.10624
   A101       2.08267   0.00000   0.00001  -0.00001   0.00000   2.08267
   A102       2.09850   0.00000   0.00000   0.00000   0.00001   2.09850
   A103       2.10307   0.00000   0.00000   0.00000  -0.00001   2.10306
   A104       2.08154   0.00000   0.00000   0.00000   0.00000   2.08154
   A105       2.14037  -0.00001   0.00000   0.00000   0.00000   2.14037
   A106       2.06728   0.00000  -0.00001   0.00003   0.00002   2.06730
   A107       2.07372   0.00000   0.00001  -0.00004  -0.00003   2.07369
   A108       2.10059   0.00000   0.00000   0.00000   0.00000   2.10059
   A109       2.08992   0.00000  -0.00001   0.00000   0.00000   2.08992
   A110       2.09267   0.00000   0.00001  -0.00001   0.00000   2.09267
   A111       2.09718   0.00000   0.00000   0.00000   0.00000   2.09718
   A112       2.10070   0.00000  -0.00001   0.00000  -0.00001   2.10069
   A113       2.08529   0.00000   0.00001  -0.00001   0.00001   2.08530
   A114       2.10005   0.00000   0.00000   0.00000   0.00000   2.10005
   A115       2.08875   0.00000   0.00000   0.00000   0.00000   2.08875
   A116       2.09437   0.00000   0.00000   0.00000   0.00000   2.09437
   A117       2.09992   0.00000   0.00000   0.00000   0.00000   2.09992
   A118       2.09135   0.00000   0.00001   0.00000   0.00001   2.09136
   A119       2.09191   0.00000  -0.00001   0.00000  -0.00001   2.09190
   A120       1.93270   0.00000   0.00001  -0.00006  -0.00006   1.93264
   A121       1.87192   0.00000  -0.00001   0.00005   0.00004   1.87196
   A122       1.95678   0.00000   0.00000  -0.00002  -0.00001   1.95677
   A123       1.88423   0.00000  -0.00001   0.00000  -0.00002   1.88422
   A124       1.89458   0.00000   0.00000   0.00004   0.00004   1.89462
   A125       1.92241   0.00000   0.00000   0.00000   0.00000   1.92241
   A126       2.09597   0.00000   0.00000   0.00000   0.00000   2.09597
   A127       2.09222   0.00000   0.00001   0.00000   0.00000   2.09223
   A128       2.09499   0.00000   0.00000   0.00000   0.00000   2.09499
   A129       2.09867   0.00000   0.00000   0.00000   0.00000   2.09867
   A130       2.08836   0.00000   0.00000   0.00000   0.00000   2.08836
   A131       2.09615   0.00000   0.00000   0.00000   0.00000   2.09615
   A132       2.09128   0.00000   0.00000   0.00000   0.00000   2.09128
   A133       2.09565   0.00000  -0.00001   0.00000   0.00000   2.09565
   A134       2.09625   0.00000   0.00000   0.00000   0.00000   2.09625
   A135       2.09674   0.00000   0.00000   0.00000   0.00000   2.09674
   A136       2.09188   0.00000   0.00000   0.00000   0.00000   2.09188
   A137       2.09456   0.00000   0.00000   0.00000   0.00000   2.09456
   A138       2.09689   0.00000   0.00000   0.00000   0.00000   2.09689
   A139       2.09178   0.00000   0.00000   0.00000   0.00000   2.09178
   A140       2.09452   0.00000   0.00000   0.00000   0.00000   2.09452
   A141       2.09123   0.00000   0.00000   0.00000   0.00000   2.09123
   A142       2.09569   0.00000   0.00000   0.00000   0.00000   2.09569
   A143       2.09626   0.00000   0.00000   0.00000   0.00000   2.09626
   A144       2.04737  -0.00001   0.00000  -0.00003  -0.00003   2.04735
   A145       2.11372   0.00001   0.00000   0.00003   0.00003   2.11375
   A146       2.11788   0.00000   0.00000   0.00000  -0.00001   2.11787
   A147       2.06847   0.00000   0.00000   0.00001   0.00001   2.06848
   A148       2.11514   0.00000   0.00001  -0.00001   0.00000   2.11513
   A149       2.09955   0.00000  -0.00001   0.00001   0.00000   2.09955
   A150       2.06871   0.00000   0.00000   0.00000   0.00000   2.06871
   A151       2.11990   0.00001   0.00001   0.00001   0.00002   2.11992
   A152       2.09454   0.00000  -0.00001  -0.00001  -0.00002   2.09452
   A153       2.10623   0.00000   0.00000   0.00000   0.00000   2.10623
   A154       2.08425   0.00000   0.00000   0.00001   0.00001   2.08426
   A155       2.09270   0.00000   0.00000  -0.00001  -0.00001   2.09269
   A156       2.10615   0.00000   0.00000   0.00000   0.00000   2.10616
   A157       2.08412   0.00000   0.00000  -0.00001  -0.00001   2.08412
   A158       2.09289   0.00000   0.00000   0.00000   0.00000   2.09289
   A159       1.93828   0.00000   0.00000   0.00000   0.00000   1.93828
   A160       1.92051   0.00000   0.00000   0.00001   0.00001   1.92052
   A161       1.92913   0.00000  -0.00001  -0.00001  -0.00002   1.92912
   A162       1.88825   0.00000   0.00000  -0.00001  -0.00001   1.88824
   A163       1.89245   0.00000   0.00000   0.00001   0.00001   1.89246
   A164       1.89405   0.00000   0.00001   0.00000   0.00001   1.89405
   A165       1.93774   0.00000   0.00000   0.00000   0.00000   1.93773
   A166       1.92627   0.00000  -0.00001   0.00001   0.00000   1.92627
   A167       1.92481   0.00000   0.00001   0.00000   0.00000   1.92481
   A168       1.89382   0.00000   0.00000  -0.00001   0.00000   1.89381
   A169       1.88926   0.00000  -0.00001   0.00000  -0.00001   1.88926
   A170       1.89074   0.00000   0.00000   0.00001   0.00001   1.89075
   A171       2.09870   0.00000   0.00000   0.00000   0.00000   2.09870
   A172       2.09216   0.00000   0.00000  -0.00001  -0.00001   2.09216
   A173       2.09231   0.00000   0.00000   0.00001   0.00001   2.09232
    D1        0.60272   0.00000   0.00008   0.00008   0.00016   0.60288
    D2       -1.56755   0.00000   0.00006   0.00007   0.00014  -1.56741
    D3        2.68853   0.00000   0.00007   0.00007   0.00014   2.68867
    D4        2.40323   0.00000  -0.00009   0.00057   0.00048   2.40371
    D5       -1.82802   0.00000  -0.00010   0.00055   0.00045  -1.82757
    D6        0.28435   0.00000  -0.00010   0.00057   0.00047   0.28482
    D7       -2.12041   0.00000  -0.00014   0.00024   0.00010  -2.12031
    D8        1.11843   0.00000  -0.00013   0.00023   0.00010   1.11853
    D9        0.92477   0.00000  -0.00002  -0.00002  -0.00004   0.92473
   D10       -1.23188  -0.00001  -0.00001  -0.00002  -0.00003  -1.23192
   D11        2.98782   0.00000  -0.00002  -0.00003  -0.00005   2.98778
   D12       -2.65174   0.00000   0.00001  -0.00006  -0.00005  -2.65179
   D13        1.47479   0.00000   0.00002  -0.00006  -0.00004   1.47475
   D14       -0.58869   0.00000   0.00002  -0.00007  -0.00005  -0.58874
   D15        2.58856   0.00000   0.00022   0.00004   0.00026   2.58883
   D16       -1.57405   0.00000   0.00023   0.00005   0.00028  -1.57377
   D17        0.46627   0.00000   0.00021   0.00003   0.00024   0.46651
   D18       -0.10774   0.00000   0.00019   0.00009   0.00028  -0.10747
   D19        2.01283   0.00000   0.00020   0.00009   0.00030   2.01313
   D20       -2.23004   0.00000   0.00018   0.00008   0.00026  -2.22978
   D21        0.08427   0.00000  -0.00008   0.00006  -0.00002   0.08425
   D22       -3.13625   0.00000  -0.00009  -0.00004  -0.00012  -3.13637
   D23        2.78254   0.00000  -0.00005   0.00001  -0.00004   2.78250
   D24       -0.43798   0.00000  -0.00006  -0.00008  -0.00014  -0.43812
   D25       -0.85608   0.00000   0.00011   0.00007   0.00018  -0.85590
   D26       -3.04232   0.00000   0.00011   0.00008   0.00019  -3.04213
   D27        1.19411   0.00000   0.00013   0.00006   0.00019   1.19430
   D28        2.30063   0.00000  -0.00002   0.00002   0.00000   2.30063
   D29        0.11439   0.00000  -0.00002   0.00003   0.00001   0.11439
   D30       -1.93237   0.00000   0.00000   0.00001   0.00001  -1.93236
   D31        0.09120   0.00000  -0.00002  -0.00005  -0.00007   0.09114
   D32       -3.08825   0.00000  -0.00003  -0.00015  -0.00018  -3.08842
   D33       -3.06572   0.00000   0.00012   0.00001   0.00012  -3.06560
   D34        0.03801   0.00000   0.00010  -0.00009   0.00001   0.03802
   D35       -1.77432   0.00001   0.00058   0.00058   0.00115  -1.77316
   D36        2.36695   0.00000   0.00057   0.00054   0.00111   2.36806
   D37        0.28662   0.00000   0.00059   0.00055   0.00114   0.28777
   D38        0.99728   0.00000   0.00012  -0.00004   0.00008   0.99736
   D39       -1.14464   0.00000   0.00011  -0.00008   0.00004  -1.14460
   D40        3.05822   0.00000   0.00014  -0.00006   0.00007   3.05829
   D41       -0.15712   0.00000  -0.00041  -0.00030  -0.00070  -0.15783
   D42        3.05024   0.00000  -0.00040  -0.00013  -0.00053   3.04971
   D43       -2.92119   0.00000   0.00006   0.00033   0.00038  -2.92080
   D44        0.28618   0.00001   0.00007   0.00049   0.00056   0.28674
   D45       -2.90372   0.00000  -0.00015  -0.00009  -0.00024  -2.90396
   D46        0.31518   0.00000  -0.00014   0.00000  -0.00014   0.31504
   D47       -0.22393   0.00000  -0.00037  -0.00023  -0.00060  -0.22453
   D48        2.99497   0.00000  -0.00036  -0.00014  -0.00050   2.99447
   D49        0.33644   0.00000   0.00018   0.00006   0.00024   0.33668
   D50        2.46959   0.00000   0.00019   0.00008   0.00028   2.46987
   D51       -1.77108   0.00000   0.00019   0.00007   0.00026  -1.77082
   D52       -2.32997   0.00000   0.00040   0.00022   0.00061  -2.32936
   D53       -0.19682   0.00000   0.00041   0.00024   0.00065  -0.19617
   D54        1.84569   0.00000   0.00041   0.00023   0.00063   1.84633
   D55       -0.90026   0.00000  -0.00014   0.00005  -0.00008  -0.90034
   D56        1.22901   0.00000  -0.00013   0.00003  -0.00010   1.22891
   D57       -3.02566   0.00000  -0.00013   0.00004  -0.00009  -3.02575
   D58        1.30380   0.00000  -0.00015   0.00006  -0.00009   1.30370
   D59       -2.85012   0.00000  -0.00015   0.00004  -0.00011  -2.85023
   D60       -0.82161   0.00000  -0.00015   0.00005  -0.00010  -0.82170
   D61       -2.96498   0.00000  -0.00015   0.00006  -0.00009  -2.96508
   D62       -0.83572   0.00000  -0.00015   0.00004  -0.00011  -0.83583
   D63        1.19280   0.00000  -0.00015   0.00005  -0.00010   1.19270
   D64       -1.07899   0.00000   0.00000   0.00005   0.00005  -1.07894
   D65        1.06182   0.00000  -0.00003   0.00007   0.00004   1.06186
   D66        3.09833   0.00000  -0.00001   0.00006   0.00004   3.09838
   D67        2.96567   0.00000  -0.00001   0.00005   0.00004   2.96571
   D68       -1.17671   0.00000  -0.00003   0.00007   0.00004  -1.17667
   D69        0.85981   0.00000  -0.00002   0.00006   0.00004   0.85984
   D70        0.96778   0.00000  -0.00002   0.00006   0.00004   0.96782
   D71        3.10859   0.00000  -0.00005   0.00008   0.00004   3.10863
   D72       -1.13808   0.00000  -0.00003   0.00007   0.00004  -1.13804
   D73        3.04761   0.00000   0.00009   0.00000   0.00010   3.04771
   D74        0.93375   0.00000   0.00009   0.00001   0.00010   0.93386
   D75       -1.17252   0.00000   0.00009   0.00001   0.00011  -1.17241
   D76       -1.06917   0.00000   0.00007   0.00001   0.00007  -1.06910
   D77        3.10016   0.00000   0.00006   0.00002   0.00008   3.10024
   D78        0.99388   0.00000   0.00007   0.00002   0.00009   0.99397
   D79        0.98343   0.00000   0.00008   0.00002   0.00010   0.98353
   D80       -1.13042   0.00000   0.00007   0.00003   0.00010  -1.13032
   D81        3.04649   0.00000   0.00008   0.00003   0.00011   3.04659
   D82        1.71277   0.00000  -0.00015  -0.00009  -0.00024   1.71253
   D83       -1.39165   0.00000  -0.00014   0.00001  -0.00013  -1.39178
   D84       -0.49251   0.00000  -0.00014  -0.00008  -0.00022  -0.49274
   D85        2.68626   0.00000  -0.00013   0.00002  -0.00012   2.68614
   D86       -2.52517   0.00000  -0.00015  -0.00009  -0.00023  -2.52540
   D87        0.65360   0.00000  -0.00013   0.00001  -0.00013   0.65348
   D88        1.40563   0.00000  -0.00008   0.00009   0.00002   1.40565
   D89       -2.72142   0.00000  -0.00006   0.00009   0.00003  -2.72139
   D90       -0.62019   0.00000  -0.00005   0.00008   0.00003  -0.62017
   D91       -0.71107   0.00000  -0.00009   0.00011   0.00003  -0.71104
   D92        1.44507   0.00000  -0.00007   0.00011   0.00004   1.44511
   D93       -2.73689   0.00000  -0.00006   0.00010   0.00004  -2.73685
   D94       -2.76837   0.00000  -0.00009   0.00010   0.00002  -2.76835
   D95       -0.61223   0.00000  -0.00007   0.00010   0.00003  -0.61220
   D96        1.48899   0.00000  -0.00006   0.00009   0.00003   1.48902
   D97       -1.07006   0.00000   0.00002  -0.00005  -0.00004  -1.07010
   D98        1.09456  -0.00001  -0.00001  -0.00005  -0.00006   1.09451
   D99       -3.13165   0.00000   0.00001  -0.00003  -0.00002  -3.13167
   D100       3.02232   0.00000   0.00001  -0.00002  -0.00001   3.02231
   D101      -1.09624   0.00000  -0.00001  -0.00002  -0.00003  -1.09627
   D102       0.96073   0.00000   0.00001   0.00001   0.00001   0.96074
   D103       0.90682   0.00000   0.00000  -0.00001  -0.00001   0.90681
   D104       3.07144   0.00000  -0.00002  -0.00001  -0.00003   3.07141
   D105      -1.15478   0.00000   0.00000   0.00002   0.00001  -1.15476
   D106      -1.06302   0.00000   0.00000  -0.00003  -0.00003  -1.06305
   D107       3.13168   0.00000   0.00000  -0.00003  -0.00003   3.13165
   D108       1.04642   0.00000   0.00000  -0.00003  -0.00003   1.04639
   D109       1.06901   0.00000   0.00000  -0.00004  -0.00004   1.06897
   D110      -1.01948   0.00000   0.00000  -0.00004  -0.00004  -1.01952
   D111      -3.10474   0.00000   0.00000  -0.00003  -0.00004  -3.10477
   D112      -3.12562   0.00000  -0.00001  -0.00004  -0.00005  -3.12568
   D113       1.06908   0.00000  -0.00001  -0.00004  -0.00005   1.06902
   D114      -1.01618   0.00000  -0.00001  -0.00004  -0.00005  -1.01624
   D115       0.90884   0.00000   0.00007  -0.00002   0.00005   0.90888
   D116      -1.19621   0.00000   0.00007  -0.00003   0.00005  -1.19617
   D117       2.99716   0.00000   0.00007  -0.00003   0.00004   2.99720
   D118      -1.20061   0.00000   0.00006  -0.00002   0.00004  -1.20057
   D119       2.97753   0.00000   0.00006  -0.00003   0.00004   2.97757
   D120       0.88772   0.00000   0.00006  -0.00003   0.00003   0.88775
   D121       3.00458   0.00000   0.00007  -0.00002   0.00005   3.00463
   D122       0.89953   0.00000   0.00007  -0.00002   0.00005   0.89958
   D123      -1.19028   0.00000   0.00007  -0.00003   0.00004  -1.19024
   D124      -1.03463   0.00000   0.00002  -0.00001   0.00001  -1.03462
   D125       1.11356   0.00000   0.00002  -0.00002   0.00000   1.11357
   D126      -3.13669   0.00000   0.00003  -0.00002   0.00001  -3.13668
   D127       3.08933   0.00000   0.00001  -0.00004  -0.00002   3.08930
   D128      -1.04567   0.00000   0.00001  -0.00004  -0.00003  -1.04570
   D129       0.98727   0.00000   0.00002  -0.00004  -0.00003   0.98724
   D130       1.03954   0.00000  -0.00001  -0.00004  -0.00005   1.03949
   D131      -3.09545   0.00000  -0.00001  -0.00005  -0.00006  -3.09551
   D132      -1.06252   0.00000   0.00000  -0.00005  -0.00005  -1.06257
   D133      -1.55234   0.00000   0.00007   0.00003   0.00009  -1.55225
   D134       1.60109   0.00000   0.00005   0.00004   0.00009   1.60118
   D135       2.58923   0.00000   0.00009   0.00001   0.00010   2.58933
   D136      -0.54053   0.00000   0.00008   0.00002   0.00010  -0.54043
   D137       0.53292   0.00000   0.00008   0.00001   0.00009   0.53301
   D138      -2.59684   0.00000   0.00007   0.00002   0.00009  -2.59675
   D139       0.72320   0.00000  -0.00014  -0.00004  -0.00018   0.72302
   D140       2.82207   0.00000  -0.00015  -0.00003  -0.00018   2.82189
   D141      -1.40490   0.00000  -0.00016  -0.00003  -0.00019  -1.40509
   D142      -1.37898   0.00000  -0.00016  -0.00003  -0.00019  -1.37918
   D143       0.71988   0.00000  -0.00017  -0.00002  -0.00019   0.71969
   D144       2.77610   0.00000  -0.00017  -0.00003  -0.00020   2.77590
   D145       2.85178   0.00000  -0.00013  -0.00003  -0.00016   2.85162
   D146      -1.33254   0.00000  -0.00014  -0.00002  -0.00016  -1.33270
   D147       0.72368   0.00000  -0.00015  -0.00003  -0.00017   0.72351
   D148      -0.83426   0.00000  -0.00004  -0.00004  -0.00009  -0.83435
   D149      -2.96786   0.00000  -0.00005  -0.00006  -0.00011  -2.96797
   D150       1.26275   0.00000  -0.00007  -0.00005  -0.00012   1.26263
   D151      -2.92995   0.00000  -0.00003  -0.00005  -0.00008  -2.93003
   D152       1.21964   0.00000  -0.00004  -0.00007  -0.00011   1.21953
   D153      -0.83294   0.00000  -0.00006  -0.00006  -0.00012  -0.83306
   D154       1.28733   0.00000  -0.00004  -0.00005  -0.00008   1.28724
   D155      -0.84627   0.00000  -0.00004  -0.00007  -0.00011  -0.84638
   D156      -2.89885   0.00000  -0.00006  -0.00006  -0.00012  -2.89897
   D157      -1.27362   0.00000   0.00041  -0.00020   0.00022  -1.27340
   D158       1.88216   0.00000   0.00042  -0.00020   0.00022   1.88238
   D159       2.86999   0.00000   0.00042  -0.00021   0.00021   2.87020
   D160      -0.25742   0.00000   0.00042  -0.00021   0.00021  -0.25720
   D161       0.81276   0.00000   0.00042  -0.00018   0.00023   0.81299
   D162      -2.31465   0.00000   0.00042  -0.00018   0.00024  -2.31441
   D163      -3.12972   0.00000   0.00000   0.00000   0.00000  -3.12972
   D164       0.01041   0.00000   0.00000   0.00000   0.00000   0.01041
   D165       0.00020   0.00000   0.00001  -0.00001   0.00000   0.00020
   D166       3.14033   0.00000   0.00001  -0.00001   0.00000   3.14033
   D167       3.13052   0.00000  -0.00001  -0.00001  -0.00002   3.13050
   D168      -0.01688   0.00000  -0.00003   0.00001  -0.00001  -0.01690
   D169       0.00068   0.00000  -0.00002   0.00001  -0.00002   0.00066
   D170       3.13646   0.00000  -0.00004   0.00002  -0.00001   3.13645
   D171      -3.12627   0.00000   0.00002   0.00000   0.00002  -3.12625
   D172       0.02181   0.00000   0.00002  -0.00001   0.00001   0.02182
   D173       0.00131   0.00000   0.00001   0.00000   0.00001   0.00133
   D174      -3.13379   0.00000   0.00001  -0.00001   0.00001  -3.13379
   D175       3.12477   0.00000  -0.00001  -0.00001  -0.00002   3.12475
   D176      -0.02016   0.00000  -0.00002  -0.00002  -0.00004  -0.02020
   D177      -0.00277   0.00000  -0.00001  -0.00001  -0.00001  -0.00279
   D178       3.13548   0.00000  -0.00001  -0.00002  -0.00003   3.13545
   D179       2.68823   0.00000   0.00015  -0.00046  -0.00031   2.68792
   D180       0.64385   0.00000   0.00016  -0.00048  -0.00032   0.64353
   D181      -1.43981   0.00000   0.00016  -0.00049  -0.00033  -1.44014
   D182      -0.51635   0.00000   0.00014  -0.00062  -0.00048  -0.51683
   D183      -2.56073   0.00000   0.00015  -0.00064  -0.00049  -2.56122
   D184       1.63879   0.00000   0.00015  -0.00066  -0.00050   1.63829
   D185      -0.00031   0.00000   0.00000   0.00001   0.00001  -0.00030
   D186       3.14060   0.00000   0.00001   0.00001   0.00002   3.14061
   D187      -3.14044   0.00000   0.00001   0.00001   0.00001  -3.14042
   D188       0.00047   0.00000   0.00001   0.00001   0.00002   0.00049
   D189      -0.00145   0.00000   0.00002   0.00000   0.00002  -0.00144
   D190       3.13792   0.00000   0.00002   0.00000   0.00002   3.13795
   D191      -3.13729   0.00000   0.00003  -0.00002   0.00001  -3.13728
   D192       0.00209   0.00000   0.00004  -0.00001   0.00002   0.00211
   D193       0.00120   0.00000  -0.00001   0.00001   0.00000   0.00120
   D194      -3.13829   0.00000  -0.00001   0.00000  -0.00001  -3.13830
   D195       3.13629   0.00000  -0.00001   0.00001   0.00000   3.13629
   D196      -0.00320   0.00000  -0.00001   0.00001   0.00000  -0.00321
   D197       0.00172   0.00000   0.00000   0.00001   0.00001   0.00173
   D198      -3.14050   0.00000  -0.00001   0.00001   0.00000  -3.14050
   D199      -3.13653   0.00000   0.00000   0.00002   0.00003  -3.13651
   D200       0.00443   0.00000   0.00000   0.00003   0.00002   0.00446
   D201      -0.00046   0.00000  -0.00001   0.00000  -0.00001  -0.00047
   D202       3.14108   0.00000  -0.00001   0.00000  -0.00001   3.14107
   D203      -3.14136   0.00000  -0.00001  -0.00001  -0.00002  -3.14138
   D204       0.00018   0.00000  -0.00001  -0.00001  -0.00002   0.00016
   D205       0.00134   0.00000   0.00000   0.00000   0.00000   0.00134
   D206      -3.14020   0.00000   0.00000   0.00000   0.00000  -3.14020
   D207      -3.13803   0.00000  -0.00001  -0.00001  -0.00001  -3.13804
   D208       0.00362   0.00000  -0.00001  -0.00001  -0.00001   0.00360
   D209      -0.00227   0.00000   0.00000   0.00000   0.00000  -0.00228
   D210       3.14050   0.00000   0.00000  -0.00001  -0.00001   3.14049
   D211       3.13722   0.00000   0.00000   0.00000   0.00000   3.13722
   D212      -0.00320   0.00000   0.00000   0.00000   0.00000  -0.00320
   D213       0.00082   0.00000   0.00001  -0.00001   0.00000   0.00082
   D214       3.14123   0.00000   0.00000   0.00000   0.00001   3.14124
   D215      -3.14015   0.00000   0.00002  -0.00001   0.00001  -3.14014
   D216       0.00027   0.00000   0.00001   0.00000   0.00001   0.00028
   D217      -3.05916   0.00000   0.00001   0.00000   0.00001  -3.05915
   D218       0.07491   0.00000  -0.00001   0.00004   0.00004   0.07494
   D219      -0.01507   0.00000   0.00000   0.00001   0.00000  -0.01506
   D220       3.11900   0.00000  -0.00002   0.00006   0.00003   3.11904
   D221       3.06294   0.00000  -0.00001   0.00000  -0.00001   3.06293
   D222      -0.06959   0.00000   0.00001   0.00000   0.00001  -0.06957
   D223       0.02254   0.00000   0.00001  -0.00001   0.00000   0.02254
   D224      -3.10999   0.00000   0.00003  -0.00001   0.00002  -3.10996
   D225      -0.00290   0.00000  -0.00001   0.00000   0.00000  -0.00291
   D226       3.14027   0.00000  -0.00001   0.00003   0.00002   3.14029
   D227      -3.13704   0.00000   0.00001  -0.00004  -0.00003  -3.13707
   D228       0.00613   0.00000   0.00001  -0.00002  -0.00001   0.00612
   D229      -2.85647   0.00000   0.00001  -0.00032  -0.00031  -2.85678
   D230       1.33643   0.00000   0.00001  -0.00032  -0.00031   1.33612
   D231      -0.75523   0.00000   0.00000  -0.00032  -0.00032  -0.75555
   D232       0.27747   0.00000  -0.00001  -0.00027  -0.00029   0.27718
   D233      -1.81282   0.00000  -0.00001  -0.00027  -0.00028  -1.81310
   D234       2.37870   0.00000  -0.00002  -0.00027  -0.00029   2.37841
   D235      -0.01224   0.00000  -0.00001   0.00000  -0.00001  -0.01224
   D236       3.13638   0.00000  -0.00002   0.00001   0.00000   3.13637
   D237       3.12042   0.00000  -0.00003   0.00000  -0.00003   3.12040
   D238      -0.01415   0.00000  -0.00003   0.00001  -0.00002  -0.01417
   D239       2.82454   0.00000   0.00003   0.00013   0.00016   2.82470
   D240       0.72385   0.00000   0.00003   0.00013   0.00017   0.72402
   D241      -1.36464   0.00000   0.00003   0.00012   0.00015  -1.36448
   D242      -0.30786   0.00000   0.00005   0.00013   0.00018  -0.30767
   D243      -2.40854   0.00000   0.00005   0.00014   0.00019  -2.40835
   D244       1.78615   0.00000   0.00005   0.00013   0.00018   1.78633
   D245       0.01300   0.00000   0.00001  -0.00001   0.00000   0.01299
   D246      -3.13370   0.00000   0.00000   0.00001   0.00001  -3.13369
   D247      -3.13018   0.00000   0.00001  -0.00004  -0.00003  -3.13021
   D248       0.00630   0.00000   0.00001  -0.00002  -0.00002   0.00629
   D249      -0.00524   0.00000   0.00000   0.00001   0.00001  -0.00523
   D250       3.14146   0.00000   0.00000  -0.00001   0.00000   3.14146
   D251       3.12930   0.00000   0.00001   0.00000   0.00000   3.12930
   D252      -0.00719   0.00000   0.00001  -0.00002  -0.00001  -0.00720
         Item               Value     Threshold  Converged?
 Maximum Force            0.000025     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.006897     0.001800     NO 
 RMS     Displacement     0.001018     0.001200     YES
 Predicted change in Energy=-2.145467D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.247744    0.007593   -0.929915
      2          8           0       -2.635258    0.231532   -2.480397
      3          8           0       -3.517638   -2.174602    1.261957
      4          8           0        2.346652    2.299702    2.272760
      5          8           0        3.447665   -0.996737    1.579329
      6          7           0       -2.718728   -2.632666   -0.879166
      7          7           0       -3.205582    0.393193   -0.252815
      8          7           0        2.131665    1.100563    0.318833
      9          7           0       -1.743232   -3.620568    1.108753
     10          6           0       -2.808354    1.765215   -0.038772
     11          6           0       -3.698676   -1.721759   -1.438599
     12          6           0       -1.423002    2.134042   -0.596526
     13          6           0       -0.299171    1.202793   -0.167950
     14          6           0       -4.173571   -2.097879   -2.858519
     15          6           0        1.082148    1.924731   -0.236191
     16          6           0       -2.879384    2.146542    1.455631
     17          6           0       -3.140963   -0.266906   -1.450556
     18          6           0       -1.533976   -2.917941   -1.662821
     19          6           0       -0.279108   -3.198164   -0.840140
     20          6           0        1.381102    2.325744   -1.693139
     21          6           0       -2.676029   -2.758903    0.526384
     22          6           0       -5.285451   -1.154813   -3.277957
     23          6           0       -4.672427   -3.526692   -2.911658
     24          6           0       -0.597986   -4.075164    0.367232
     25          6           0       -4.260046    2.041408    1.999843
     26          6           0        2.651813    3.084474   -1.833481
     27          6           0        2.636816    1.300753    1.581979
     28          6           0       -5.125084    3.140452    1.931063
     29          6           0       -4.704497    0.854942    2.596448
     30          6           0        2.732487    4.412233   -1.395300
     31          6           0        3.774272    2.487896   -2.418997
     32          6           0        3.659179    0.306750    2.132637
     33          6           0       -6.415066    3.054927    2.451083
     34          6           0       -5.996402    0.772637    3.114858
     35          6           0       -6.852888    1.870829    3.044191
     36          6           0        3.917063    5.130886   -1.542573
     37          6           0        4.958040    3.209411   -2.566951
     38          6           0        5.031541    4.531421   -2.129822
     39          6           0        4.615134   -1.661941    1.212736
     40          6           0        4.737918   -2.057221   -0.133365
     41          6           0        5.575131   -2.028419    2.173524
     42          6           0        5.852727   -2.814054   -0.507929
     43          6           0        6.681791   -2.778360    1.760204
     44          6           0        3.711076   -1.693532   -1.135910
     45          6           0        5.428341   -1.647872    3.596887
     46          6           0        6.820912   -3.165269    0.429839
     47          1           0       -3.551122    2.423107   -0.591862
     48          1           0       -4.610878   -1.757859   -0.763791
     49          1           0       -1.491832    2.140569   -1.719311
     50          1           0       -1.188532    3.177412   -0.259350
     51          1           0       -0.470916    0.849534    0.890555
     52          1           0       -3.309644   -1.973224   -3.569965
     53          1           0        1.012405    2.866195    0.388163
     54          1           0       -3.565614   -0.098835    0.540306
     55          1           0       -2.184178    1.495995    2.050471
     56          1           0       -2.515824    3.204322    1.552982
     57          1           0       -1.764980   -3.816102   -2.306131
     58          1           0       -1.323711   -2.040707   -2.344966
     59          1           0        0.468516   -3.721922   -1.487586
     60          1           0        0.174317   -2.226600   -0.504157
     61          1           0        1.405543    1.404805   -2.335164
     62          1           0        0.529062    2.964707   -2.050892
     63          1           0       -6.157026   -1.236887   -2.584842
     64          1           0       -5.628499   -1.413049   -4.308923
     65          1           0       -4.923645   -0.097866   -3.281387
     66          1           0       -5.432878   -3.707185   -2.113976
     67          1           0       -3.836956   -4.253569   -2.773590
     68          1           0       -5.146389   -3.724936   -3.904011
     69          1           0        0.298552   -4.113598    1.048678
     70          1           0       -0.807056   -5.127115    0.013385
     71          1           0        2.247716    0.202389   -0.096965
     72          1           0       -1.674394   -3.567842    2.098968
     73          1           0       -0.512433    0.216008   -1.837773
     74          1           0       -4.782610    4.076262    1.464924
     75          1           0       -4.038891   -0.022897    2.655460
     76          1           0        1.856491    4.885577   -0.927339
     77          1           0        3.722954    1.443409   -2.761246
     78          1           0        3.502126    0.227264    3.242428
     79          1           0        4.687036    0.695416    1.915306
     80          1           0       -7.087553    3.923228    2.393650
     81          1           0       -6.338114   -0.164646    3.578677
     82          1           0       -7.870682    1.803833    3.454871
     83          1           0        3.972831    6.172208   -1.192898
     84          1           0        5.835128    2.733360   -3.029071
     85          1           0        5.965482    5.099767   -2.246488
     86          1           0        5.962977   -3.132027   -1.555797
     87          1           0        7.444268   -3.068768    2.498886
     88          1           0        3.809331   -2.319603   -2.056699
     89          1           0        3.825537   -0.618611   -1.430052
     90          1           0        2.683212   -1.839989   -0.716223
     91          1           0        6.079495   -2.279342    4.250004
     92          1           0        4.366253   -1.773749    3.926159
     93          1           0        5.717998   -0.576519    3.744051
     94          1           0        7.696364   -3.754657    0.119124
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832367      0.0419843      0.0367820
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.8993913709 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893716007     A.U. after    9 cycles
             Convg  =    0.9239D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8           0.000007992    0.000004432    0.000001422
      2        8          -0.000004387    0.000001470    0.000000450
      3        8           0.000006002   -0.000005887    0.000002822
      4        8          -0.000001351    0.000004999    0.000001506
      5        8          -0.000002907   -0.000003270    0.000004720
      6        7           0.000005469    0.000010327   -0.000015690
      7        7          -0.000004879    0.000016518   -0.000001330
      8        7           0.000007392   -0.000004029    0.000010634
      9        7           0.000021186    0.000001546   -0.000003713
     10        6           0.000004104    0.000000853   -0.000007633
     11        6          -0.000000354   -0.000007742   -0.000009650
     12        6          -0.000002012    0.000000023   -0.000001932
     13        6           0.000001258   -0.000002262   -0.000006546
     14        6          -0.000001397   -0.000001779    0.000005869
     15        6          -0.000002132   -0.000005077    0.000003556
     16        6          -0.000003857    0.000005083    0.000008449
     17        6           0.000015437   -0.000002708    0.000001624
     18        6           0.000001910   -0.000001474    0.000000723
     19        6          -0.000001387   -0.000000324   -0.000000059
     20        6           0.000003497    0.000001621   -0.000001925
     21        6          -0.000020496   -0.000006657    0.000013032
     22        6          -0.000001804    0.000000158    0.000001193
     23        6           0.000001629    0.000004185    0.000004929
     24        6          -0.000011680    0.000003102   -0.000005518
     25        6           0.000006621   -0.000000820   -0.000002755
     26        6          -0.000001984    0.000000993   -0.000003240
     27        6           0.000003743   -0.000000618   -0.000007405
     28        6           0.000003325   -0.000000647    0.000000656
     29        6          -0.000004783   -0.000000336    0.000000352
     30        6           0.000001648    0.000000512    0.000001463
     31        6          -0.000000333    0.000000882    0.000000729
     32        6           0.000006407   -0.000000657   -0.000001367
     33        6          -0.000000617    0.000003380   -0.000000646
     34        6           0.000005281   -0.000001332    0.000001967
     35        6          -0.000004726   -0.000000432   -0.000002341
     36        6          -0.000000888    0.000000532   -0.000000240
     37        6           0.000000129   -0.000000189   -0.000000858
     38        6           0.000000794   -0.000000678    0.000000555
     39        6           0.000009487    0.000003632   -0.000014771
     40        6           0.000000290   -0.000002460    0.000006275
     41        6          -0.000009716    0.000002964   -0.000001295
     42        6          -0.000004995    0.000000560    0.000000952
     43        6          -0.000000111   -0.000004052    0.000005696
     44        6          -0.000000427    0.000000242   -0.000002321
     45        6          -0.000001337   -0.000001398    0.000003156
     46        6           0.000003364    0.000002623   -0.000006358
     47        1           0.000000245   -0.000002522    0.000003161
     48        1           0.000003828    0.000000121   -0.000000595
     49        1          -0.000000963   -0.000000246    0.000002272
     50        1          -0.000002394    0.000000263    0.000000397
     51        1           0.000000052   -0.000000716    0.000000823
     52        1           0.000001027   -0.000001220    0.000000097
     53        1          -0.000002201   -0.000000123   -0.000001333
     54        1           0.000000626   -0.000010620    0.000004146
     55        1           0.000000212    0.000000605   -0.000000342
     56        1          -0.000003695   -0.000003660   -0.000001409
     57        1          -0.000001466    0.000001006   -0.000000988
     58        1          -0.000001584    0.000000371   -0.000000390
     59        1          -0.000000583   -0.000000034   -0.000000952
     60        1          -0.000001466    0.000000419    0.000000572
     61        1          -0.000001110   -0.000000341    0.000000109
     62        1          -0.000000277    0.000001002    0.000000949
     63        1          -0.000000410   -0.000000286   -0.000000216
     64        1          -0.000000358   -0.000000316   -0.000000531
     65        1          -0.000001555    0.000000037   -0.000000063
     66        1          -0.000000328   -0.000000614    0.000000517
     67        1          -0.000000368   -0.000000780   -0.000000237
     68        1          -0.000000406    0.000000327   -0.000000988
     69        1           0.000000945    0.000001754    0.000001261
     70        1           0.000000900    0.000000631    0.000002558
     71        1          -0.000001291    0.000003323   -0.000000586
     72        1          -0.000006627   -0.000003839    0.000002305
     73        1          -0.000006183   -0.000001935    0.000004545
     74        1          -0.000001827    0.000000234   -0.000000812
     75        1           0.000000185    0.000002237   -0.000003228
     76        1          -0.000000442   -0.000000074    0.000000212
     77        1           0.000000567    0.000000026   -0.000000298
     78        1           0.000001815   -0.000001840    0.000000012
     79        1          -0.000000569    0.000000890    0.000002222
     80        1          -0.000000297   -0.000001164    0.000000157
     81        1          -0.000000549    0.000000661    0.000000413
     82        1           0.000000922    0.000000271    0.000000540
     83        1           0.000000332    0.000000036   -0.000000291
     84        1          -0.000000409   -0.000000107    0.000000842
     85        1          -0.000000164    0.000000130   -0.000000304
     86        1           0.000000722   -0.000000187   -0.000000370
     87        1          -0.000000057    0.000001094   -0.000000956
     88        1           0.000000070   -0.000000289    0.000000613
     89        1          -0.000000626    0.000001327    0.000000295
     90        1          -0.000000899    0.000000077   -0.000001288
     91        1          -0.000000388    0.000000535    0.000000840
     92        1          -0.000000478   -0.000000891   -0.000000323
     93        1          -0.000000572   -0.000000279    0.000000442
     94        1          -0.000000312   -0.000001104    0.000001060
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000021186 RMS     0.000004023

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000018669 RMS     0.000002545
 Search for a local minimum.
 Step number  46 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46
 DE= -2.21D-08 DEPred=-2.15D-08 R= 1.03D+00
 Trust test= 1.03D+00 RLast= 3.42D-03 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00048   0.00164   0.00187   0.00193   0.00221
     Eigenvalues ---    0.00238   0.00244   0.00280   0.00328   0.00385
     Eigenvalues ---    0.00423   0.00472   0.00494   0.00547   0.00556
     Eigenvalues ---    0.00599   0.00666   0.00705   0.00768   0.00981
     Eigenvalues ---    0.01087   0.01251   0.01392   0.01423   0.01448
     Eigenvalues ---    0.01478   0.01498   0.01555   0.01729   0.01920
     Eigenvalues ---    0.01948   0.02080   0.02116   0.02124   0.02144
     Eigenvalues ---    0.02151   0.02155   0.02158   0.02161   0.02161
     Eigenvalues ---    0.02171   0.02172   0.02176   0.02177   0.02178
     Eigenvalues ---    0.02179   0.02180   0.02183   0.02186   0.02188
     Eigenvalues ---    0.02190   0.02198   0.02294   0.02319   0.02546
     Eigenvalues ---    0.03147   0.03262   0.03410   0.03478   0.03824
     Eigenvalues ---    0.03991   0.04017   0.04091   0.04314   0.04351
     Eigenvalues ---    0.04406   0.04488   0.04644   0.04717   0.04880
     Eigenvalues ---    0.04973   0.05035   0.05074   0.05099   0.05305
     Eigenvalues ---    0.05361   0.05441   0.05451   0.05520   0.05594
     Eigenvalues ---    0.05610   0.05649   0.05694   0.05734   0.05912
     Eigenvalues ---    0.06073   0.06491   0.06913   0.07041   0.07117
     Eigenvalues ---    0.07194   0.07280   0.07397   0.07566   0.07613
     Eigenvalues ---    0.07884   0.08071   0.08325   0.08802   0.09241
     Eigenvalues ---    0.09448   0.09519   0.09759   0.11092   0.11668
     Eigenvalues ---    0.12160   0.12613   0.12904   0.13014   0.14115
     Eigenvalues ---    0.14504   0.15352   0.15687   0.15903   0.15949
     Eigenvalues ---    0.15979   0.15985   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16010   0.16018   0.16019   0.16021   0.16029
     Eigenvalues ---    0.16074   0.16208   0.16240   0.16634   0.16930
     Eigenvalues ---    0.17693   0.17847   0.19262   0.19396   0.19758
     Eigenvalues ---    0.20353   0.20763   0.21058   0.21707   0.21969
     Eigenvalues ---    0.22000   0.22001   0.22004   0.22083   0.22269
     Eigenvalues ---    0.22371   0.22849   0.23304   0.23402   0.23486
     Eigenvalues ---    0.23545   0.23728   0.23868   0.24277   0.24697
     Eigenvalues ---    0.24750   0.24894   0.24984   0.25087   0.25168
     Eigenvalues ---    0.25321   0.26141   0.26697   0.26772   0.27581
     Eigenvalues ---    0.28016   0.28346   0.28440   0.28635   0.28882
     Eigenvalues ---    0.29230   0.29450   0.29992   0.30461   0.30852
     Eigenvalues ---    0.31182   0.31648   0.32252   0.32385   0.33243
     Eigenvalues ---    0.34010   0.34290   0.34453   0.34469   0.34567
     Eigenvalues ---    0.34591   0.34649   0.34661   0.34692   0.34704
     Eigenvalues ---    0.34724   0.34730   0.34737   0.34749   0.34753
     Eigenvalues ---    0.34766   0.34770   0.34786   0.34793   0.34805
     Eigenvalues ---    0.34817   0.34823   0.34828   0.34840   0.34844
     Eigenvalues ---    0.34878   0.34900   0.34927   0.35032   0.35070
     Eigenvalues ---    0.35503   0.35884   0.35893   0.35922   0.35947
     Eigenvalues ---    0.35968   0.35983   0.35992   0.35998   0.36013
     Eigenvalues ---    0.36023   0.36035   0.36046   0.36102   0.36644
     Eigenvalues ---    0.37223   0.39056   0.39169   0.40994   0.41286
     Eigenvalues ---    0.42264   0.42323   0.42424   0.42694   0.43418
     Eigenvalues ---    0.43677   0.44870   0.45296   0.45676   0.45916
     Eigenvalues ---    0.46136   0.46176   0.46346   0.46463   0.46603
     Eigenvalues ---    0.46694   0.46775   0.46800   0.46963   0.47056
     Eigenvalues ---    0.47653   0.48491   0.48993   0.51067   0.52667
     Eigenvalues ---    0.55101   0.56558   0.58397   0.59241   0.61459
     Eigenvalues ---    0.67561   0.81041   0.88842   0.91631   0.92472
     Eigenvalues ---    0.953021000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    46   45   44   43   42
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.04208      0.30525     -0.39210     -0.13641      0.18118
 Iteration  1 RMS(Cart)=  0.00039672 RMS(Int)=  0.00000002
 Iteration  2 RMS(Cart)=  0.00000063 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68031   0.00001   0.00001   0.00000   0.00002   2.68032
    R2        1.82992   0.00001   0.00001   0.00001   0.00002   1.82994
    R3        2.36386   0.00000   0.00000   0.00000   0.00000   2.36386
    R4        2.38344  -0.00001  -0.00001   0.00000  -0.00001   2.38343
    R5        2.35972   0.00000   0.00000  -0.00001  -0.00001   2.35971
    R6        2.70565  -0.00001  -0.00001   0.00001  -0.00001   2.70564
    R7        2.63200  -0.00001  -0.00001   0.00000  -0.00001   2.63198
    R8        2.74044  -0.00001   0.00001   0.00001   0.00002   2.74046
    R9        2.73791   0.00000   0.00000   0.00000   0.00001   2.73792
   R10        2.66802  -0.00002  -0.00002  -0.00001  -0.00003   2.66799
   R11        2.72936   0.00000   0.00002  -0.00002   0.00000   2.72936
   R12        2.58726   0.00000   0.00000   0.00000   0.00000   2.58726
   R13        1.89044  -0.00001  -0.00001  -0.00001  -0.00002   1.89042
   R14        2.73115   0.00001   0.00000   0.00003   0.00002   2.73118
   R15        2.59849   0.00001   0.00000   0.00003   0.00003   2.59852
   R16        1.88317   0.00000   0.00000   0.00001   0.00001   1.88318
   R17        2.64003   0.00001   0.00002   0.00003   0.00005   2.64008
   R18        2.71759  -0.00001   0.00000   0.00000   0.00000   2.71759
   R19        1.87840  -0.00001   0.00000   0.00001   0.00001   1.87840
   R20        2.90694   0.00000   0.00000   0.00000   0.00001   2.90695
   R21        2.91759   0.00000   0.00000  -0.00001  -0.00001   2.91758
   R22        2.14668   0.00000   0.00000   0.00000   0.00000   2.14668
   R23        2.91726   0.00001   0.00000   0.00002   0.00002   2.91728
   R24        2.94445  -0.00001   0.00000  -0.00001  -0.00001   2.94444
   R25        2.14530   0.00000  -0.00001   0.00000  -0.00001   2.14530
   R26        2.87456   0.00001   0.00000   0.00003   0.00003   2.87459
   R27        2.12578   0.00000   0.00000   0.00000   0.00001   2.12578
   R28        2.11893   0.00000   0.00000   0.00000   0.00000   2.11892
   R29        2.94815   0.00000  -0.00001   0.00000  -0.00001   2.94814
   R30        2.13357   0.00000   0.00000   0.00000   0.00000   2.13356
   R31        2.86690   0.00000   0.00000   0.00001   0.00001   2.86690
   R32        2.86167   0.00000   0.00001   0.00001   0.00002   2.86168
   R33        2.12799   0.00000   0.00000   0.00000   0.00000   2.12799
   R34        2.91097   0.00000  -0.00001   0.00000  -0.00001   2.91095
   R35        2.13885   0.00000   0.00000   0.00000   0.00000   2.13885
   R36        2.81147   0.00000   0.00000   0.00000   0.00000   2.81147
   R37        2.12151   0.00000   0.00000   0.00000   0.00000   2.12151
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    A8        2.06398   0.00000   0.00000   0.00002   0.00002   2.06400
    A9        2.13711   0.00000   0.00000  -0.00003  -0.00003   2.13708
   A10        2.02451   0.00000  -0.00001  -0.00003  -0.00004   2.02447
   A11        2.06204   0.00000  -0.00001  -0.00004  -0.00005   2.06199
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   A13        2.01395   0.00000  -0.00001  -0.00005  -0.00006   2.01389
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   A15        2.00613  -0.00001   0.00001  -0.00001   0.00000   2.00613
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   A17        1.87357   0.00000  -0.00001  -0.00001  -0.00002   1.87355
   A18        1.91046   0.00000   0.00000   0.00001   0.00001   1.91047
   A19        1.84779   0.00000  -0.00001  -0.00001  -0.00002   1.84777
   A20        1.87355   0.00000   0.00000   0.00001   0.00001   1.87356
   A21        1.99288   0.00000   0.00000   0.00001   0.00001   1.99289
   A22        1.92579  -0.00001   0.00000  -0.00001  -0.00001   1.92578
   A23        1.86889   0.00000  -0.00002   0.00000  -0.00001   1.86887
   A24        1.90767   0.00000   0.00001   0.00000   0.00001   1.90768
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   A26        1.89849   0.00000   0.00001   0.00000   0.00001   1.89851
   A27        2.00029   0.00000   0.00001   0.00001   0.00003   2.00032
   A28        1.88408   0.00000  -0.00001  -0.00002  -0.00002   1.88406
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   A31        1.90757   0.00000   0.00001   0.00002   0.00002   1.90760
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   A37        1.92123   0.00000   0.00000   0.00001   0.00001   1.92124
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   A39        1.90530   0.00000   0.00001   0.00000   0.00001   1.90531
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   A47        1.88309   0.00000   0.00000   0.00000   0.00001   1.88310
   A48        1.91099   0.00000   0.00002   0.00000   0.00002   1.91101
   A49        1.88203   0.00000  -0.00001  -0.00001  -0.00002   1.88202
   A50        1.89353   0.00000   0.00000   0.00000   0.00000   1.89353
   A51        1.95984   0.00001   0.00001   0.00002   0.00003   1.95987
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   A53        1.87730  -0.00001   0.00000  -0.00002  -0.00002   1.87728
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   A56        1.87494   0.00000   0.00001   0.00000   0.00001   1.87495
   A57        2.14980   0.00000   0.00001   0.00000   0.00001   2.14982
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   D245       0.01299   0.00000   0.00001  -0.00002   0.00000   0.01299
   D246      -3.13369   0.00000   0.00001   0.00000   0.00002  -3.13368
   D247      -3.13021   0.00000   0.00001  -0.00002  -0.00001  -3.13022
   D248       0.00629   0.00000   0.00001   0.00000   0.00001   0.00630
   D249      -0.00523   0.00000  -0.00001   0.00001   0.00000  -0.00523
   D250       3.14146   0.00000  -0.00001  -0.00001  -0.00002   3.14144
   D251       3.12930   0.00000  -0.00001   0.00002   0.00000   3.12930
   D252      -0.00720   0.00000  -0.00001   0.00000  -0.00002  -0.00721
         Item               Value     Threshold  Converged?
 Maximum Force            0.000019     0.000450     YES
 RMS     Force            0.000003     0.000300     YES
 Maximum Displacement     0.001932     0.001800     NO 
 RMS     Displacement     0.000397     0.001200     YES
 Predicted change in Energy=-1.026855D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.247671    0.007868   -0.929905
      2          8           0       -2.635106    0.231756   -2.480397
      3          8           0       -3.516934   -2.174690    1.261780
      4          8           0        2.346111    2.299149    2.273341
      5          8           0        3.447355   -0.996900    1.579084
      6          7           0       -2.718144   -2.632580   -0.879417
      7          7           0       -3.205524    0.393192   -0.252815
      8          7           0        2.131715    1.100794    0.318848
      9          7           0       -1.742445   -3.620539    1.108394
     10          6           0       -2.808431    1.765242   -0.038695
     11          6           0       -3.698237   -1.721760   -1.438760
     12          6           0       -1.423074    2.134213   -0.596351
     13          6           0       -0.299163    1.203005   -0.167830
     14          6           0       -4.173107   -2.097816   -2.858714
     15          6           0        1.082118    1.925008   -0.235990
     16          6           0       -2.879620    2.146531    1.455703
     17          6           0       -3.140722   -0.266836   -1.450585
     18          6           0       -1.533421   -2.917701   -1.663178
     19          6           0       -0.278489   -3.197917   -0.840589
     20          6           0        1.381037    2.326290   -1.692864
     21          6           0       -2.675351   -2.758893    0.526109
     22          6           0       -5.285104   -1.154847   -3.278077
     23          6           0       -4.671805   -3.526689   -2.911972
     24          6           0       -0.597267   -4.075045    0.366714
     25          6           0       -4.260258    2.041045    1.999901
     26          6           0        2.651664    3.085188   -1.833055
     27          6           0        2.636574    1.300545    1.582197
     28          6           0       -5.125596    3.139850    1.931064
     29          6           0       -4.704406    0.854485    2.596544
     30          6           0        2.732191    4.412876   -1.394638
     31          6           0        3.774191    2.488832   -2.418666
     32          6           0        3.659018    0.306475    2.132584
     33          6           0       -6.415569    3.053997    2.451057
     34          6           0       -5.996299    0.771846    3.114926
     35          6           0       -6.853086    1.869803    3.044199
     36          6           0        3.916689    5.131684   -1.541774
     37          6           0        4.957879    3.210505   -2.566496
     38          6           0        5.031235    4.532446   -2.129131
     39          6           0        4.614765   -1.662226    1.212557
     40          6           0        4.737591   -2.057421   -0.133575
     41          6           0        5.574653   -2.028860    2.173373
     42          6           0        5.852346   -2.814333   -0.508123
     43          6           0        6.681272   -2.778879    1.760067
     44          6           0        3.710833   -1.693545   -1.136141
     45          6           0        5.427825   -1.648376    3.596744
     46          6           0        6.820441   -3.165709    0.429688
     47          1           0       -3.551212    2.423069   -0.591841
     48          1           0       -4.610414   -1.758062   -0.763936
     49          1           0       -1.491870    2.140812   -1.719142
     50          1           0       -1.188711    3.177581   -0.259096
     51          1           0       -0.470887    0.849641    0.890642
     52          1           0       -3.309201   -1.973008   -3.570158
     53          1           0        1.012341    2.866359    0.388532
     54          1           0       -3.565467   -0.098930    0.540275
     55          1           0       -2.184262    1.496159    2.050554
     56          1           0       -2.516338    3.204410    1.553059
     57          1           0       -1.764405   -3.815807   -2.306566
     58          1           0       -1.323268   -2.040384   -2.345250
     59          1           0        0.469136   -3.721569   -1.488118
     60          1           0        0.174887   -2.226353   -0.504547
     61          1           0        1.405591    1.405467   -2.335050
     62          1           0        0.528928    2.965211   -2.050526
     63          1           0       -6.156682   -1.237106   -2.584989
     64          1           0       -5.628096   -1.413017   -4.309076
     65          1           0       -4.923446   -0.097849   -3.281392
     66          1           0       -5.432200   -3.707348   -2.114278
     67          1           0       -3.836240   -4.253477   -2.774013
     68          1           0       -5.145790   -3.724884   -3.904321
     69          1           0        0.299330   -4.113584    1.048075
     70          1           0       -0.806382   -5.126955    0.012763
     71          1           0        2.247779    0.202708   -0.097149
     72          1           0       -1.673409   -3.567630    2.098589
     73          1           0       -0.512384    0.216374   -1.837745
     74          1           0       -4.783375    4.075741    1.464901
     75          1           0       -4.038561   -0.023165    2.655624
     76          1           0        1.856138    4.886042   -0.926603
     77          1           0        3.722997    1.444394   -2.761081
     78          1           0        3.502161    0.226850    3.242390
     79          1           0        4.686847    0.695129    1.915118
     80          1           0       -7.088288    3.922113    2.393563
     81          1           0       -6.337771   -0.165512    3.578770
     82          1           0       -7.870871    1.802538    3.454854
     83          1           0        3.972345    6.172947   -1.191910
     84          1           0        5.835015    2.734633   -3.028708
     85          1           0        5.965112    5.100918   -2.245694
     86          1           0        5.962646   -3.132239   -1.556006
     87          1           0        7.443669   -3.069405    2.498785
     88          1           0        3.809121   -2.319494   -2.057010
     89          1           0        3.825356   -0.618594   -1.430135
     90          1           0        2.682934   -1.840010   -0.716539
     91          1           0        6.078862   -2.279964    4.249862
     92          1           0        4.365705   -1.774141    3.925946
     93          1           0        5.717605   -0.577067    3.743981
     94          1           0        7.695861   -3.755144    0.118972
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832322      0.0419882      0.0367837
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.9284776002 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893729034     A.U. after    8 cycles
             Convg  =    0.7861D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000000669   -0.000001577    0.000000222
      2        8          -0.000001217   -0.000000235   -0.000001778
      3        8          -0.000000407   -0.000001360   -0.000000174
      4        8          -0.000002041    0.000001706    0.000000556
      5        8          -0.000003264    0.000004295    0.000004940
      6        7          -0.000005701    0.000005108   -0.000003406
      7        7          -0.000004223    0.000005558    0.000001096
      8        7           0.000002727   -0.000001647    0.000005750
      9        7           0.000003777    0.000001352   -0.000001135
     10        6           0.000005345    0.000000026   -0.000004152
     11        6           0.000007853   -0.000004850   -0.000004979
     12        6           0.000007130   -0.000000983   -0.000001992
     13        6          -0.000008483    0.000003446   -0.000001452
     14        6          -0.000000673    0.000001354    0.000004071
     15        6           0.000001942   -0.000003184    0.000000252
     16        6          -0.000002164    0.000001415    0.000003972
     17        6           0.000004382    0.000002597    0.000005224
     18        6           0.000000027   -0.000000173   -0.000002551
     19        6          -0.000002682   -0.000000640    0.000001460
     20        6           0.000000544    0.000000183   -0.000000312
     21        6           0.000001905   -0.000006618    0.000006819
     22        6           0.000002032    0.000000601   -0.000000372
     23        6          -0.000000443   -0.000000658   -0.000001081
     24        6          -0.000006083    0.000003885   -0.000005168
     25        6           0.000002285   -0.000000408   -0.000001239
     26        6          -0.000000800    0.000000825   -0.000000858
     27        6          -0.000001770    0.000003058   -0.000002514
     28        6           0.000001545    0.000000235   -0.000000045
     29        6          -0.000003010    0.000000155   -0.000000295
     30        6           0.000000711   -0.000000062    0.000000407
     31        6           0.000000588   -0.000001020   -0.000000209
     32        6           0.000000232   -0.000002401   -0.000004366
     33        6           0.000000736    0.000001682    0.000000461
     34        6           0.000001658   -0.000000957    0.000000240
     35        6          -0.000001772   -0.000001136   -0.000000686
     36        6           0.000000302   -0.000000179    0.000000568
     37        6          -0.000000486    0.000000579   -0.000000805
     38        6          -0.000000227    0.000000570    0.000000247
     39        6           0.000004821   -0.000001056   -0.000000543
     40        6          -0.000000683   -0.000001689    0.000004748
     41        6          -0.000000369   -0.000000623   -0.000001035
     42        6          -0.000002568    0.000001155   -0.000001657
     43        6           0.000000910   -0.000002507    0.000004289
     44        6           0.000002354    0.000001591   -0.000001978
     45        6           0.000000610    0.000000062    0.000000662
     46        6           0.000000263    0.000001117   -0.000003967
     47        1          -0.000001460   -0.000002155    0.000002066
     48        1           0.000002248    0.000001054   -0.000001026
     49        1          -0.000000168   -0.000000585    0.000000244
     50        1           0.000001229    0.000000215    0.000000337
     51        1          -0.000001485    0.000000786   -0.000000276
     52        1           0.000000697   -0.000000911   -0.000000520
     53        1          -0.000000685    0.000000073   -0.000001039
     54        1           0.000003980   -0.000004128    0.000002702
     55        1           0.000001306   -0.000000226   -0.000000419
     56        1          -0.000002016   -0.000002277   -0.000000961
     57        1          -0.000000245    0.000001628    0.000000064
     58        1          -0.000000538    0.000000401   -0.000001179
     59        1          -0.000000358   -0.000000199   -0.000000578
     60        1          -0.000001292    0.000000094   -0.000000830
     61        1          -0.000000479    0.000000873    0.000000709
     62        1          -0.000000825    0.000000328    0.000000326
     63        1           0.000000036    0.000000460   -0.000000375
     64        1          -0.000000017   -0.000000098    0.000000363
     65        1          -0.000000093   -0.000000519   -0.000000400
     66        1          -0.000000193    0.000000207   -0.000000325
     67        1           0.000000367   -0.000000364    0.000000068
     68        1          -0.000000580   -0.000000115    0.000000513
     69        1           0.000000487    0.000000637    0.000000630
     70        1          -0.000000160   -0.000000030    0.000001727
     71        1          -0.000001084    0.000001416   -0.000000740
     72        1          -0.000004500   -0.000003873    0.000003763
     73        1           0.000001190    0.000000139    0.000001993
     74        1          -0.000001015   -0.000000126   -0.000000350
     75        1           0.000001160    0.000001316   -0.000001159
     76        1          -0.000000576    0.000000004   -0.000000045
     77        1           0.000000178    0.000000349    0.000000196
     78        1           0.000000020   -0.000000839   -0.000000166
     79        1           0.000000242   -0.000002344    0.000000215
     80        1          -0.000000307   -0.000000635   -0.000000386
     81        1          -0.000000104    0.000000582    0.000000475
     82        1           0.000000322    0.000000460    0.000000150
     83        1           0.000000040   -0.000000065   -0.000000449
     84        1           0.000000054   -0.000000340    0.000000503
     85        1           0.000000118   -0.000000299   -0.000000234
     86        1           0.000000026    0.000000112    0.000000152
     87        1           0.000000401    0.000000608   -0.000000279
     88        1           0.000000416    0.000000027    0.000000524
     89        1          -0.000000976   -0.000000316   -0.000001022
     90        1          -0.000001233   -0.000000506   -0.000001545
     91        1           0.000000720    0.000000664    0.000000090
     92        1          -0.000000180    0.000000851   -0.000000489
     93        1           0.000000260   -0.000000792   -0.000000531
     94        1           0.000000129   -0.000000134    0.000000278
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000008483 RMS     0.000002089

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000015672 RMS     0.000001851
 Search for a local minimum.
 Step number  47 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47
 DE= -1.30D-08 DEPred=-1.03D-08 R= 1.27D+00
 Trust test= 1.27D+00 RLast= 2.02D-03 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00047   0.00149   0.00188   0.00197   0.00218
     Eigenvalues ---    0.00235   0.00239   0.00268   0.00328   0.00379
     Eigenvalues ---    0.00413   0.00469   0.00494   0.00546   0.00554
     Eigenvalues ---    0.00581   0.00660   0.00706   0.00775   0.00977
     Eigenvalues ---    0.01102   0.01190   0.01410   0.01436   0.01448
     Eigenvalues ---    0.01482   0.01496   0.01555   0.01718   0.01926
     Eigenvalues ---    0.01979   0.02087   0.02117   0.02122   0.02137
     Eigenvalues ---    0.02151   0.02156   0.02158   0.02161   0.02164
     Eigenvalues ---    0.02171   0.02172   0.02175   0.02177   0.02178
     Eigenvalues ---    0.02179   0.02181   0.02184   0.02186   0.02187
     Eigenvalues ---    0.02190   0.02204   0.02257   0.02323   0.02531
     Eigenvalues ---    0.03150   0.03315   0.03422   0.03494   0.03829
     Eigenvalues ---    0.03997   0.04017   0.04114   0.04311   0.04353
     Eigenvalues ---    0.04444   0.04487   0.04652   0.04723   0.04887
     Eigenvalues ---    0.05005   0.05028   0.05076   0.05095   0.05306
     Eigenvalues ---    0.05363   0.05440   0.05458   0.05521   0.05593
     Eigenvalues ---    0.05611   0.05649   0.05673   0.05734   0.05920
     Eigenvalues ---    0.06071   0.06496   0.06916   0.07055   0.07118
     Eigenvalues ---    0.07192   0.07286   0.07405   0.07573   0.07608
     Eigenvalues ---    0.07892   0.08087   0.08318   0.08818   0.09242
     Eigenvalues ---    0.09467   0.09525   0.09752   0.11094   0.11675
     Eigenvalues ---    0.12149   0.12613   0.12920   0.13019   0.14115
     Eigenvalues ---    0.14405   0.15358   0.15714   0.15905   0.15908
     Eigenvalues ---    0.15976   0.15986   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16002   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16011   0.16017   0.16021   0.16025   0.16051
     Eigenvalues ---    0.16072   0.16209   0.16249   0.16626   0.16918
     Eigenvalues ---    0.17721   0.17930   0.19313   0.19401   0.19762
     Eigenvalues ---    0.20380   0.20783   0.21010   0.21750   0.21954
     Eigenvalues ---    0.22000   0.22000   0.22003   0.22080   0.22186
     Eigenvalues ---    0.22569   0.23030   0.23364   0.23405   0.23496
     Eigenvalues ---    0.23570   0.23740   0.23807   0.24209   0.24686
     Eigenvalues ---    0.24719   0.24949   0.24969   0.25028   0.25239
     Eigenvalues ---    0.25510   0.26111   0.26536   0.26881   0.27561
     Eigenvalues ---    0.28038   0.28410   0.28590   0.28737   0.29175
     Eigenvalues ---    0.29181   0.29492   0.30011   0.30622   0.30879
     Eigenvalues ---    0.31235   0.31803   0.32263   0.32513   0.33297
     Eigenvalues ---    0.34058   0.34290   0.34461   0.34506   0.34574
     Eigenvalues ---    0.34604   0.34647   0.34654   0.34692   0.34706
     Eigenvalues ---    0.34725   0.34730   0.34742   0.34747   0.34755
     Eigenvalues ---    0.34768   0.34770   0.34783   0.34795   0.34797
     Eigenvalues ---    0.34818   0.34821   0.34830   0.34842   0.34850
     Eigenvalues ---    0.34877   0.34917   0.34927   0.35048   0.35119
     Eigenvalues ---    0.35556   0.35885   0.35896   0.35927   0.35953
     Eigenvalues ---    0.35970   0.35984   0.35991   0.35998   0.36013
     Eigenvalues ---    0.36027   0.36036   0.36056   0.36147   0.36771
     Eigenvalues ---    0.37233   0.39203   0.39509   0.40806   0.41794
     Eigenvalues ---    0.42274   0.42325   0.42435   0.42935   0.43417
     Eigenvalues ---    0.43929   0.45135   0.45486   0.45798   0.45974
     Eigenvalues ---    0.46138   0.46308   0.46346   0.46445   0.46595
     Eigenvalues ---    0.46752   0.46777   0.46884   0.47098   0.47268
     Eigenvalues ---    0.47703   0.48353   0.49633   0.51287   0.53144
     Eigenvalues ---    0.55116   0.58081   0.59110   0.61230   0.63863
     Eigenvalues ---    0.67516   0.78355   0.88641   0.91289   0.92436
     Eigenvalues ---    0.957111000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    47   46   45   44   43
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.29765     -0.02774     -0.49654      0.10003      0.12659
 Iteration  1 RMS(Cart)=  0.00039741 RMS(Int)=  0.00000002
 Iteration  2 RMS(Cart)=  0.00000008 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68032   0.00000   0.00001   0.00000   0.00001   2.68033
    R2        1.82994   0.00000   0.00001   0.00000   0.00001   1.82995
    R3        2.36386   0.00000   0.00000   0.00000   0.00000   2.36386
    R4        2.38343   0.00000  -0.00001   0.00000  -0.00001   2.38342
    R5        2.35971   0.00000   0.00000   0.00000  -0.00001   2.35970
    R6        2.70564   0.00000   0.00000   0.00001   0.00001   2.70565
    R7        2.63198   0.00000   0.00000   0.00000   0.00000   2.63198
    R8        2.74046  -0.00002   0.00001  -0.00002  -0.00001   2.74044
    R9        2.73792  -0.00001   0.00000   0.00000   0.00000   2.73792
   R10        2.66799  -0.00001  -0.00002  -0.00001  -0.00003   2.66796
   R11        2.72936   0.00000   0.00000   0.00001   0.00001   2.72937
   R12        2.58726   0.00000   0.00000   0.00000   0.00000   2.58726
   R13        1.89042   0.00000  -0.00001   0.00000  -0.00001   1.89041
   R14        2.73118   0.00000   0.00001   0.00000   0.00001   2.73119
   R15        2.59852   0.00000   0.00001   0.00001   0.00002   2.59854
   R16        1.88318   0.00000   0.00000   0.00000   0.00000   1.88318
   R17        2.64008  -0.00001   0.00002   0.00000   0.00003   2.64011
   R18        2.71759  -0.00001   0.00000   0.00000  -0.00001   2.71759
   R19        1.87840  -0.00001   0.00000   0.00000   0.00000   1.87840
   R20        2.90695   0.00000   0.00000   0.00001   0.00000   2.90695
   R21        2.91758   0.00000  -0.00001   0.00000  -0.00001   2.91757
   R22        2.14668   0.00000   0.00000   0.00000   0.00000   2.14668
   R23        2.91728   0.00000   0.00000   0.00000   0.00001   2.91729
   R24        2.94444  -0.00001  -0.00001   0.00000  -0.00001   2.94443
   R25        2.14530   0.00000   0.00000   0.00000   0.00000   2.14529
   R26        2.87459  -0.00001   0.00001  -0.00002  -0.00002   2.87457
   R27        2.12578   0.00000   0.00001   0.00000   0.00000   2.12579
   R28        2.11892   0.00000   0.00000   0.00000   0.00000   2.11892
   R29        2.94814   0.00000  -0.00001   0.00000   0.00000   2.94814
   R30        2.13356   0.00000   0.00000   0.00000   0.00000   2.13356
   R31        2.86690   0.00000   0.00000   0.00000   0.00000   2.86690
   R32        2.86168   0.00000   0.00001   0.00000   0.00000   2.86168
   R33        2.12799   0.00000   0.00000   0.00000   0.00000   2.12799
   R34        2.91095   0.00000   0.00000  -0.00001  -0.00001   2.91094
   R35        2.13885   0.00000   0.00000   0.00000   0.00000   2.13885
   R36        2.81147   0.00000   0.00000   0.00000   0.00000   2.81147
   R37        2.12151   0.00000   0.00000   0.00000   0.00000   2.12151
   R38        2.12168   0.00000   0.00001   0.00000   0.00001   2.12169
   R39        2.88456   0.00000   0.00000  -0.00001   0.00000   2.88455
   R40        2.13288   0.00000   0.00000   0.00000   0.00000   2.13287
   R41        2.13721   0.00000   0.00000   0.00000   0.00000   2.13721
   R42        2.88365   0.00000   0.00000   0.00000   0.00000   2.88365
   R43        2.11485   0.00000   0.00000   0.00000   0.00000   2.11484
   R44        2.12324   0.00000   0.00000   0.00000   0.00000   2.12324
   R45        2.80933   0.00000   0.00000   0.00000   0.00000   2.80933
   R46        2.12199   0.00000   0.00000   0.00000   0.00000   2.12199
   R47        2.12309   0.00000   0.00000   0.00000   0.00000   2.12309
   R48        2.11006   0.00000   0.00000   0.00000   0.00000   2.11006
   R49        2.11046   0.00000   0.00000   0.00000   0.00000   2.11046
   R50        2.11113   0.00000   0.00000   0.00000   0.00000   2.11113
   R51        2.11037   0.00000   0.00000   0.00000   0.00000   2.11037
   R52        2.10890   0.00000   0.00000   0.00000   0.00000   2.10890
   R53        2.11168   0.00000   0.00000   0.00000   0.00000   2.11168
   R54        2.12930   0.00000   0.00000   0.00000   0.00000   2.12930
   R55        2.13424   0.00000   0.00001   0.00000   0.00001   2.13425
   R56        2.64624   0.00000   0.00000   0.00000   0.00000   2.64624
   R57        2.64641   0.00000   0.00000   0.00000   0.00000   2.64641
   R58        2.64660   0.00000   0.00000   0.00000   0.00000   2.64659
   R59        2.64470   0.00000   0.00000   0.00000   0.00000   2.64470
   R60        2.88856   0.00000   0.00000   0.00001   0.00001   2.88857
   R61        2.63330   0.00000   0.00000   0.00000   0.00000   2.63330
   R62        2.07897   0.00000   0.00000   0.00000   0.00000   2.07897
   R63        2.63516   0.00000   0.00000   0.00000   0.00000   2.63516
   R64        2.08480   0.00000   0.00000   0.00000   0.00000   2.08479
   R65        2.63301   0.00000   0.00000   0.00000   0.00000   2.63301
   R66        2.07905   0.00000   0.00000   0.00000   0.00000   2.07905
   R67        2.63465   0.00000   0.00000   0.00000   0.00000   2.63465
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12341   0.00000   0.00000   0.00000  -0.00001   2.12341
   R70        2.11681   0.00000   0.00000   0.00000   0.00000   2.11681
   R71        2.63585   0.00000   0.00000   0.00000   0.00000   2.63584
   R72        2.07825   0.00000   0.00000   0.00000   0.00000   2.07825
   R73        2.63520   0.00000   0.00000   0.00000   0.00000   2.63520
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63634   0.00000   0.00000   0.00000   0.00000   2.63635
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63493   0.00000   0.00000   0.00000   0.00000   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66132   0.00000   0.00001   0.00000   0.00001   2.66133
   R82        2.65839   0.00000  -0.00001   0.00000  -0.00001   2.65838
   R83        2.64284   0.00000  -0.00001  -0.00001  -0.00001   2.64282
   R84        2.79767   0.00000   0.00000   0.00000   0.00000   2.79767
   R85        2.64424   0.00000   0.00001   0.00000   0.00001   2.64424
   R86        2.79801   0.00000   0.00000   0.00000   0.00000   2.79802
   R87        2.63219   0.00000   0.00001   0.00000   0.00000   2.63220
   R88        2.07980   0.00000   0.00000   0.00000   0.00000   2.07980
   R89        2.63135   0.00000  -0.00001  -0.00001  -0.00002   2.63133
   R90        2.07987   0.00000   0.00000   0.00000   0.00000   2.07987
   R91        2.11233   0.00000   0.00000   0.00000   0.00000   2.11233
   R92        2.11706   0.00000   0.00000   0.00000   0.00000   2.11706
   R93        2.11624   0.00000   0.00000   0.00000   0.00000   2.11624
   R94        2.11220   0.00000   0.00000   0.00000   0.00000   2.11220
   R95        2.11471   0.00000   0.00000   0.00000   0.00000   2.11471
   R96        2.11561   0.00000   0.00000   0.00000   0.00000   2.11561
   R97        2.07899   0.00000   0.00000   0.00000   0.00000   2.07899
    A1        1.88847   0.00000  -0.00002   0.00002   0.00000   1.88847
    A2        1.99619   0.00001   0.00001  -0.00001   0.00000   1.99620
    A3        2.05735   0.00000  -0.00001   0.00000  -0.00001   2.05734
    A4        2.04953   0.00000   0.00000   0.00000   0.00000   2.04953
    A5        2.08995   0.00000   0.00000   0.00000   0.00000   2.08995
    A6        2.18297   0.00000  -0.00002   0.00000  -0.00002   2.18295
    A7        2.03613   0.00000   0.00001   0.00001   0.00001   2.03614
    A8        2.06400   0.00000   0.00001  -0.00001   0.00001   2.06401
    A9        2.13708   0.00000  -0.00001  -0.00003  -0.00003   2.13704
   A10        2.02447   0.00000  -0.00001  -0.00001  -0.00002   2.02445
   A11        2.06199   0.00000  -0.00001  -0.00002  -0.00003   2.06196
   A12        2.10798   0.00000  -0.00002  -0.00002  -0.00004   2.10794
   A13        2.01389   0.00000  -0.00002  -0.00004  -0.00006   2.01384
   A14        2.06608   0.00000   0.00002  -0.00002  -0.00001   2.06607
   A15        2.00613   0.00000   0.00000   0.00000   0.00000   2.00613
   A16        1.94488   0.00001   0.00001   0.00000   0.00002   1.94490
   A17        1.87355   0.00000  -0.00001   0.00000  -0.00001   1.87354
   A18        1.91047   0.00000   0.00000   0.00000  -0.00001   1.91046
   A19        1.84777   0.00000  -0.00001   0.00000  -0.00001   1.84776
   A20        1.87356   0.00000   0.00001   0.00000   0.00001   1.87357
   A21        1.99289   0.00000   0.00000   0.00000   0.00000   1.99288
   A22        1.92578   0.00000   0.00000   0.00001   0.00001   1.92579
   A23        1.86887   0.00000  -0.00001  -0.00002  -0.00003   1.86885
   A24        1.90768   0.00000   0.00000   0.00001   0.00001   1.90769
   A25        1.86691   0.00000   0.00000   0.00000   0.00000   1.86691
   A26        1.89851   0.00000   0.00001  -0.00001   0.00000   1.89851
   A27        2.00032   0.00000   0.00001  -0.00001   0.00000   2.00032
   A28        1.88406   0.00000  -0.00001   0.00001   0.00000   1.88405
   A29        1.87799   0.00000   0.00000   0.00001   0.00001   1.87800
   A30        1.90705   0.00000  -0.00001   0.00000  -0.00001   1.90704
   A31        1.90760   0.00000   0.00001  -0.00001   0.00001   1.90760
   A32        1.88339   0.00000   0.00000   0.00000   0.00000   1.88340
   A33        1.97282   0.00000  -0.00002   0.00000  -0.00002   1.97280
   A34        1.91170   0.00000   0.00001   0.00000   0.00000   1.91171
   A35        1.81884   0.00000   0.00001   0.00000   0.00000   1.81885
   A36        1.93751   0.00000   0.00001   0.00000   0.00002   1.93753
   A37        1.92124   0.00000   0.00000  -0.00001  -0.00001   1.92124
   A38        1.89702   0.00000   0.00000   0.00001   0.00000   1.89702
   A39        1.90531   0.00000   0.00000  -0.00001   0.00000   1.90531
   A40        1.94282   0.00000   0.00000   0.00000   0.00000   1.94282
   A41        1.89455   0.00000   0.00000  -0.00001   0.00000   1.89455
   A42        1.91280   0.00000   0.00000   0.00000   0.00000   1.91280
   A43        1.89525   0.00000   0.00000   0.00000   0.00000   1.89525
   A44        1.91241   0.00000   0.00000   0.00001   0.00000   1.91241
   A45        1.94152   0.00000   0.00001   0.00001   0.00002   1.94154
   A46        1.95057   0.00000  -0.00001  -0.00001  -0.00002   1.95055
   A47        1.88310   0.00000   0.00000   0.00000   0.00000   1.88310
   A48        1.91101   0.00000   0.00002   0.00000   0.00002   1.91103
   A49        1.88202   0.00000  -0.00001   0.00000  -0.00001   1.88200
   A50        1.89353   0.00000   0.00000   0.00000   0.00000   1.89353
   A51        1.95987   0.00001   0.00003   0.00000   0.00004   1.95990
   A52        1.91903   0.00000  -0.00001   0.00000  -0.00001   1.91902
   A53        1.87728   0.00000  -0.00002   0.00000  -0.00002   1.87726
   A54        1.91761   0.00000   0.00000   0.00000   0.00000   1.91760
   A55        1.91278   0.00000  -0.00001   0.00000  -0.00001   1.91277
   A56        1.87495   0.00000   0.00001   0.00000   0.00001   1.87496
   A57        2.14982   0.00000   0.00000  -0.00001   0.00000   2.14981
   A58        2.12123   0.00000  -0.00001   0.00001   0.00000   2.12124
   A59        2.01150   0.00000   0.00001  -0.00001   0.00000   2.01150
   A60        2.00079   0.00000   0.00000  -0.00001  -0.00002   2.00077
   A61        1.87299   0.00000   0.00000   0.00000   0.00000   1.87299
   A62        1.90237   0.00000   0.00000   0.00000   0.00000   1.90237
   A63        1.90643   0.00000   0.00001   0.00000   0.00001   1.90644
   A64        1.89087   0.00000   0.00001   0.00000   0.00001   1.89088
   A65        1.88757   0.00000   0.00000   0.00001   0.00001   1.88758
   A66        1.93921   0.00000  -0.00001  -0.00001  -0.00002   1.93919
   A67        1.90002   0.00000   0.00000   0.00000   0.00001   1.90003
   A68        1.91153   0.00000   0.00000   0.00000   0.00000   1.91153
   A69        1.90538   0.00000   0.00000   0.00000   0.00001   1.90539
   A70        1.92272   0.00000   0.00000   0.00000   0.00001   1.92273
   A71        1.88398   0.00000   0.00000   0.00000   0.00000   1.88398
   A72        1.96928   0.00000   0.00000  -0.00001  -0.00001   1.96927
   A73        1.90869   0.00000   0.00001   0.00000   0.00001   1.90870
   A74        1.87764   0.00000   0.00001   0.00000   0.00001   1.87765
   A75        1.92409   0.00000   0.00000   0.00000   0.00000   1.92410
   A76        1.90490   0.00000   0.00000   0.00001   0.00001   1.90490
   A77        1.87640   0.00000  -0.00001   0.00000  -0.00001   1.87639
   A78        2.11649   0.00000   0.00001   0.00000   0.00001   2.11650
   A79        2.08075   0.00000  -0.00002   0.00000  -0.00002   2.08073
   A80        2.08328   0.00000   0.00000   0.00000   0.00001   2.08329
   A81        1.93346   0.00000   0.00000   0.00000   0.00000   1.93346
   A82        1.91411   0.00000   0.00000   0.00000   0.00000   1.91411
   A83        1.93010   0.00000   0.00001   0.00000   0.00000   1.93010
   A84        1.89259   0.00000   0.00000   0.00000   0.00000   1.89259
   A85        1.90100   0.00000   0.00000   0.00000   0.00000   1.90100
   A86        1.89168   0.00000   0.00000   0.00000   0.00000   1.89167
   A87        1.93024   0.00000   0.00000   0.00000   0.00000   1.93024
   A88        1.94291   0.00000  -0.00001   0.00000   0.00000   1.94290
   A89        1.91588   0.00000   0.00000   0.00000   0.00000   1.91587
   A90        1.89246   0.00000   0.00000   0.00000   0.00000   1.89247
   A91        1.89317   0.00000   0.00000   0.00000   0.00000   1.89317
   A92        1.88794   0.00000   0.00001   0.00000   0.00001   1.88795
   A93        1.97439   0.00000   0.00000   0.00000   0.00000   1.97440
   A94        1.90984   0.00000   0.00000   0.00001   0.00001   1.90985
   A95        1.88447   0.00000   0.00000  -0.00001  -0.00001   1.88446
   A96        1.90907   0.00000   0.00001   0.00000   0.00001   1.90908
   A97        1.90297   0.00000   0.00000  -0.00001  -0.00001   1.90296
   A98        1.88072   0.00000  -0.00001   0.00000  -0.00001   1.88072
   A99        2.09421   0.00000   0.00000   0.00000   0.00000   2.09421
   A100       2.10625   0.00000   0.00001   0.00000   0.00001   2.10626
   A101       2.08266   0.00000  -0.00001   0.00000  -0.00001   2.08266
   A102       2.09851   0.00000   0.00001   0.00000   0.00000   2.09851
   A103       2.10305   0.00000  -0.00001   0.00000   0.00000   2.10305
   A104       2.08154   0.00000   0.00000   0.00000   0.00000   2.08154
   A105       2.14038   0.00000   0.00000   0.00000   0.00000   2.14038
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    D2       -1.56743   0.00000   0.00003  -0.00002   0.00001  -1.56742
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    D4        2.40401   0.00000   0.00007   0.00025   0.00032   2.40433
    D5       -1.82725   0.00000   0.00008   0.00025   0.00032  -1.82692
    D6        0.28517   0.00000   0.00008   0.00026   0.00034   0.28551
    D7       -2.12039   0.00000  -0.00003   0.00006   0.00004  -2.12036
    D8        1.11842   0.00000  -0.00005   0.00012   0.00007   1.11849
    D9        0.92463   0.00000  -0.00004   0.00004   0.00001   0.92464
   D10       -1.23202   0.00000  -0.00004   0.00003  -0.00001  -1.23203
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   D12       -2.65185   0.00000  -0.00006   0.00005  -0.00002  -2.65186
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   D14       -0.58880   0.00000  -0.00007   0.00004  -0.00003  -0.58883
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   D16       -1.57368   0.00000   0.00003  -0.00002   0.00001  -1.57367
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   D18       -0.10742   0.00000   0.00006  -0.00002   0.00004  -0.10738
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   D20       -2.22974   0.00000   0.00005  -0.00002   0.00004  -2.22970
   D21        0.08419   0.00000   0.00002  -0.00003  -0.00002   0.08417
   D22       -3.13642   0.00000  -0.00001  -0.00003  -0.00005  -3.13647
   D23        2.78247   0.00000  -0.00001  -0.00003  -0.00005   2.78242
   D24       -0.43814   0.00000  -0.00004  -0.00003  -0.00007  -0.43822
   D25       -0.85586   0.00000   0.00002  -0.00004  -0.00002  -0.85588
   D26       -3.04212   0.00000   0.00001  -0.00004  -0.00003  -3.04215
   D27        1.19430   0.00000   0.00000  -0.00004  -0.00005   1.19426
   D28        2.30052   0.00000  -0.00010  -0.00008  -0.00017   2.30034
   D29        0.11425   0.00000  -0.00010  -0.00008  -0.00018   0.11408
   D30       -1.93250   0.00000  -0.00012  -0.00008  -0.00020  -1.93270
   D31        0.09098   0.00000  -0.00007  -0.00002  -0.00009   0.09089
   D32       -3.08847   0.00000  -0.00005  -0.00002  -0.00007  -3.08854
   D33       -3.06561   0.00000   0.00005   0.00002   0.00006  -3.06555
   D34        0.03812   0.00000   0.00006   0.00002   0.00008   0.03820
   D35       -1.77277   0.00000   0.00011   0.00016   0.00028  -1.77249
   D36        2.36843   0.00000   0.00009   0.00017   0.00026   2.36869
   D37        0.28815   0.00000   0.00010   0.00018   0.00027   0.28843
   D38        0.99738   0.00000   0.00004  -0.00002   0.00001   0.99739
   D39       -1.14461   0.00000   0.00002  -0.00002   0.00000  -1.14461
   D40        3.05830   0.00000   0.00002  -0.00001   0.00001   3.05831
   D41       -0.15788   0.00000   0.00006  -0.00005   0.00001  -0.15787
   D42        3.04969   0.00000   0.00009   0.00001   0.00010   3.04979
   D43       -2.92048   0.00000   0.00014   0.00014   0.00028  -2.92020
   D44        0.28709   0.00000   0.00017   0.00020   0.00037   0.28746
   D45       -2.90400   0.00000  -0.00005   0.00004   0.00000  -2.90401
   D46        0.31497   0.00000  -0.00002   0.00004   0.00002   0.31499
   D47       -0.22481   0.00000  -0.00009  -0.00015  -0.00024  -0.22504
   D48        2.99417   0.00000  -0.00006  -0.00015  -0.00021   2.99396
   D49        0.33679   0.00000   0.00006  -0.00001   0.00005   0.33684
   D50        2.47000   0.00000   0.00007   0.00000   0.00008   2.47008
   D51       -1.77070   0.00000   0.00006   0.00001   0.00007  -1.77064
   D52       -2.32900   0.00000   0.00011   0.00019   0.00030  -2.32869
   D53       -0.19578   0.00000   0.00013   0.00020   0.00033  -0.19546
   D54        1.84670   0.00000   0.00012   0.00020   0.00032   1.84702
   D55       -0.90028   0.00000   0.00005   0.00006   0.00011  -0.90017
   D56        1.22895   0.00000   0.00003   0.00006   0.00009   1.22904
   D57       -3.02572   0.00000   0.00003   0.00007   0.00010  -3.02563
   D58        1.30379   0.00000   0.00006   0.00006   0.00012   1.30392
   D59       -2.85017   0.00000   0.00005   0.00006   0.00011  -2.85006
   D60       -0.82165   0.00000   0.00004   0.00007   0.00011  -0.82154
   D61       -2.96498   0.00000   0.00007   0.00006   0.00013  -2.96485
   D62       -0.83575   0.00000   0.00005   0.00006   0.00011  -0.83564
   D63        1.19276   0.00000   0.00005   0.00007   0.00012   1.19288
   D64       -1.07876   0.00000   0.00011   0.00008   0.00018  -1.07858
   D65        1.06205   0.00000   0.00012   0.00008   0.00020   1.06225
   D66        3.09856   0.00000   0.00011   0.00007   0.00019   3.09875
   D67        2.96587   0.00000   0.00010   0.00008   0.00018   2.96605
   D68       -1.17650   0.00000   0.00011   0.00008   0.00019  -1.17631
   D69        0.86001   0.00000   0.00011   0.00007   0.00018   0.86019
   D70        0.96799   0.00000   0.00011   0.00008   0.00019   0.96819
   D71        3.10881   0.00000   0.00012   0.00008   0.00020   3.10901
   D72       -1.13786   0.00000   0.00012   0.00008   0.00019  -1.13767
   D73        3.04774   0.00000   0.00001  -0.00002  -0.00002   3.04772
   D74        0.93388   0.00000   0.00001  -0.00002  -0.00001   0.93387
   D75       -1.17238   0.00000   0.00001  -0.00003  -0.00002  -1.17240
   D76       -1.06907   0.00000   0.00001   0.00000   0.00000  -1.06907
   D77        3.10026   0.00000   0.00001   0.00000   0.00001   3.10027
   D78        0.99400   0.00000   0.00001  -0.00001   0.00000   0.99400
   D79        0.98357   0.00000   0.00002  -0.00001   0.00001   0.98359
   D80       -1.13028   0.00000   0.00002   0.00000   0.00002  -1.13026
   D81        3.04664   0.00000   0.00002  -0.00001   0.00001   3.04665
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   D83       -1.39187   0.00000  -0.00005   0.00002  -0.00002  -1.39190
   D84       -0.49273   0.00000  -0.00003   0.00002  -0.00001  -0.49275
   D85        2.68604   0.00000  -0.00005   0.00001  -0.00003   2.68600
   D86       -2.52541   0.00000  -0.00004   0.00001  -0.00002  -2.52543
   D87        0.65336   0.00000  -0.00005   0.00001  -0.00004   0.65332
   D88        1.40561   0.00000   0.00002   0.00001   0.00003   1.40564
   D89       -2.72143   0.00000   0.00002   0.00002   0.00004  -2.72139
   D90       -0.62020   0.00000   0.00002   0.00002   0.00004  -0.62015
   D91       -0.71105   0.00000   0.00004   0.00001   0.00005  -0.71101
   D92        1.44510   0.00000   0.00004   0.00001   0.00005   1.44515
   D93       -2.73686   0.00000   0.00004   0.00002   0.00006  -2.73680
   D94       -2.76837   0.00000   0.00003   0.00001   0.00004  -2.76832
   D95       -0.61222   0.00000   0.00003   0.00001   0.00005  -0.61217
   D96        1.48902   0.00000   0.00004   0.00002   0.00005   1.48907
   D97       -1.06999   0.00000   0.00000   0.00003   0.00003  -1.06997
   D98        1.09460   0.00000   0.00000   0.00002   0.00002   1.09462
   D99       -3.13157   0.00000   0.00001   0.00002   0.00002  -3.13155
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   D101      -1.09617   0.00000   0.00002   0.00002   0.00003  -1.09613
   D102       0.96085   0.00000   0.00002   0.00001   0.00004   0.96089
   D103       0.90690   0.00000   0.00001   0.00003   0.00004   0.90694
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   D119       2.97752   0.00000  -0.00004  -0.00001  -0.00005   2.97747
   D120       0.88770   0.00000  -0.00005   0.00000  -0.00005   0.88765
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   D126      -3.13675   0.00000  -0.00006   0.00003  -0.00003  -3.13677
   D127       3.08922   0.00000  -0.00007   0.00003  -0.00004   3.08918
   D128      -1.04578   0.00000  -0.00006   0.00002  -0.00004  -1.04582
   D129       0.98716   0.00000  -0.00007   0.00003  -0.00004   0.98711
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   D139       0.72302   0.00000  -0.00002   0.00005   0.00003   0.72304
   D140       2.82188   0.00000  -0.00002   0.00005   0.00003   2.82191
   D141      -1.40509   0.00000  -0.00002   0.00005   0.00003  -1.40506
   D142      -1.37919   0.00000  -0.00002   0.00006   0.00004  -1.37915
   D143       0.71968   0.00000  -0.00002   0.00006   0.00004   0.71971
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   D147       0.72350   0.00000  -0.00002   0.00005   0.00003   0.72352
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   D149      -2.96807   0.00000  -0.00005  -0.00006  -0.00010  -2.96817
   D150       1.26254   0.00000  -0.00004  -0.00006  -0.00009   1.26245
   D151      -2.93011   0.00000  -0.00004  -0.00004  -0.00008  -2.93019
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   D153      -0.83315   0.00000  -0.00004  -0.00005  -0.00010  -0.83324
   D154       1.28716   0.00000  -0.00004  -0.00005  -0.00009   1.28707
   D155      -0.84649   0.00000  -0.00005  -0.00006  -0.00011  -0.84660
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   D158       1.88240   0.00000   0.00007  -0.00016  -0.00009   1.88231
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   D160      -0.25720   0.00000   0.00006  -0.00015  -0.00009  -0.25729
   D161       0.81301   0.00000   0.00007  -0.00014  -0.00007   0.81293
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   D164       0.01040   0.00000   0.00000  -0.00001  -0.00001   0.01039
   D165       0.00020   0.00000  -0.00001   0.00000  -0.00001   0.00019
   D166       3.14032   0.00000  -0.00001   0.00000  -0.00001   3.14032
   D167       3.13051   0.00000   0.00000   0.00001   0.00002   3.13053
   D168      -0.01687   0.00000   0.00002   0.00001   0.00003  -0.01684
   D169       0.00067   0.00000   0.00001   0.00001   0.00001   0.00068
   D170       3.13648   0.00000   0.00002   0.00000   0.00002   3.13650
   D171      -3.12625   0.00000   0.00000  -0.00001  -0.00001  -3.12626
   D172       0.02182   0.00000   0.00000  -0.00002  -0.00002   0.02180
   D173       0.00133   0.00000   0.00000   0.00000   0.00000   0.00133
   D174      -3.13379   0.00000  -0.00001   0.00000  -0.00001  -3.13380
   D175       3.12474   0.00000  -0.00001   0.00001   0.00000   3.12474
   D176      -0.02022   0.00000  -0.00001   0.00001  -0.00001  -0.02023
   D177      -0.00280   0.00000   0.00000   0.00000  -0.00001  -0.00281
   D178       3.13542   0.00000  -0.00001  -0.00001  -0.00002   3.13540
   D179       2.68746   0.00000  -0.00009  -0.00039  -0.00048   2.68698
   D180       0.64304   0.00000  -0.00010  -0.00039  -0.00049   0.64255
   D181      -1.44066   0.00000  -0.00010  -0.00041  -0.00051  -1.44117
   D182      -0.51732   0.00000  -0.00012  -0.00044  -0.00056  -0.51789
   D183      -2.56174   0.00000  -0.00013  -0.00045  -0.00058  -2.56232
   D184       1.63774   0.00000  -0.00013  -0.00047  -0.00060   1.63714
   D185      -0.00030   0.00000   0.00000  -0.00001   0.00000  -0.00030
   D186       3.14063   0.00000   0.00001  -0.00001   0.00000   3.14063
   D187      -3.14042   0.00000   0.00000   0.00000   0.00000  -3.14043
   D188       0.00050   0.00000   0.00001  -0.00001   0.00000   0.00050
   D189      -0.00144   0.00000   0.00000  -0.00001  -0.00001  -0.00145
   D190       3.13794   0.00000   0.00000  -0.00001  -0.00002   3.13793
   D191      -3.13730   0.00000  -0.00002   0.00000  -0.00002  -3.13732
   D192       0.00209   0.00000  -0.00002  -0.00001  -0.00003   0.00206
   D193       0.00121   0.00000   0.00001   0.00000   0.00001   0.00121
   D194      -3.13829   0.00000   0.00001   0.00000   0.00001  -3.13829
   D195       3.13631   0.00000   0.00001   0.00000   0.00001   3.13632
   D196      -0.00319   0.00000   0.00001   0.00001   0.00001  -0.00318
   D197       0.00174   0.00000   0.00001   0.00000   0.00001   0.00175
   D198      -3.14048   0.00000   0.00001   0.00000   0.00002  -3.14046
   D199      -3.13648   0.00000   0.00001   0.00001   0.00002  -3.13646
   D200       0.00449   0.00000   0.00002   0.00001   0.00002   0.00451
   D201      -0.00047   0.00000   0.00000   0.00001   0.00001  -0.00046
   D202       3.14108   0.00000   0.00000   0.00001   0.00001   3.14109
   D203      -3.14139   0.00000  -0.00001   0.00001   0.00000  -3.14139
   D204       0.00016   0.00000   0.00000   0.00001   0.00000   0.00016
   D205       0.00134   0.00000   0.00000   0.00000   0.00000   0.00134
   D206      -3.14021   0.00000   0.00000   0.00000   0.00000  -3.14021
   D207      -3.13804   0.00000   0.00000   0.00001   0.00001  -3.13803
   D208       0.00360   0.00000   0.00000   0.00001   0.00000   0.00360
   D209      -0.00229   0.00000   0.00000   0.00000   0.00000  -0.00229
   D210       3.14048   0.00000  -0.00001   0.00000   0.00000   3.14048
   D211       3.13721   0.00000   0.00000   0.00000  -0.00001   3.13721
   D212      -0.00321   0.00000   0.00000   0.00000   0.00000  -0.00321
   D213       0.00082   0.00000   0.00000   0.00000   0.00000   0.00081
   D214       3.14123   0.00000   0.00000   0.00000  -0.00001   3.14123
   D215      -3.14015   0.00000  -0.00001   0.00000  -0.00001  -3.14016
   D216       0.00027   0.00000  -0.00001   0.00000  -0.00001   0.00026
   D217      -3.05919   0.00000  -0.00004   0.00006   0.00002  -3.05917
   D218       0.07491   0.00000  -0.00002   0.00004   0.00002   0.07493
   D219      -0.01506   0.00000  -0.00001   0.00001   0.00000  -0.01507
   D220       3.11904   0.00000   0.00000  -0.00002  -0.00001   3.11903
   D221       3.06297   0.00000   0.00004  -0.00007  -0.00003   3.06294
   D222      -0.06956   0.00000   0.00004  -0.00005  -0.00001  -0.06957
   D223       0.02254   0.00000   0.00002  -0.00001   0.00000   0.02255
   D224      -3.10999   0.00000   0.00002   0.00001   0.00003  -3.10996
   D225      -0.00291   0.00000   0.00001  -0.00001   0.00000  -0.00291
   D226       3.14030   0.00000   0.00002  -0.00002   0.00000   3.14030
   D227      -3.13708   0.00000  -0.00001   0.00002   0.00000  -3.13707
   D228       0.00613   0.00000   0.00000   0.00001   0.00001   0.00613
   D229      -2.85686   0.00000   0.00004  -0.00005  -0.00001  -2.85688
   D230       1.33604   0.00000   0.00005  -0.00006  -0.00001   1.33603
   D231      -0.75563   0.00000   0.00004  -0.00005  -0.00001  -0.75564
   D232       0.27711   0.00000   0.00006  -0.00008  -0.00002   0.27709
   D233      -1.81318   0.00000   0.00007  -0.00009  -0.00002  -1.81320
   D234       2.37834   0.00000   0.00006  -0.00007  -0.00001   2.37833
   D235      -0.01225   0.00000  -0.00001   0.00001   0.00000  -0.01224
   D236       3.13637   0.00000   0.00000   0.00002   0.00002   3.13639
   D237       3.12042   0.00000  -0.00001  -0.00001  -0.00002   3.12040
   D238      -0.01415   0.00000   0.00000   0.00000   0.00000  -0.01415
   D239       2.82469   0.00000  -0.00005  -0.00001  -0.00007   2.82462
   D240       0.72401   0.00000  -0.00005  -0.00002  -0.00006   0.72395
   D241      -1.36449   0.00000  -0.00005  -0.00002  -0.00007  -1.36456
   D242      -0.30771   0.00000  -0.00005   0.00001  -0.00004  -0.30775
   D243      -2.40839   0.00000  -0.00004   0.00000  -0.00004  -2.40843
   D244       1.78630   0.00000  -0.00005   0.00000  -0.00005   1.78625
   D245       0.01299   0.00000   0.00000   0.00001   0.00001   0.01300
   D246      -3.13368   0.00000   0.00001  -0.00001   0.00000  -3.13368
   D247      -3.13022   0.00000  -0.00001   0.00002   0.00001  -3.13021
   D248       0.00630   0.00000   0.00000   0.00000   0.00000   0.00630
   D249      -0.00523   0.00000   0.00000  -0.00001  -0.00001  -0.00524
   D250       3.14144   0.00000  -0.00001   0.00001   0.00000   3.14144
   D251       3.12930   0.00000  -0.00001  -0.00002  -0.00003   3.12928
   D252      -0.00721   0.00000  -0.00002   0.00000  -0.00002  -0.00723
         Item               Value     Threshold  Converged?
 Maximum Force            0.000016     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.002100     0.001800     NO 
 RMS     Displacement     0.000397     0.001200     YES
 Predicted change in Energy=-5.601153D-09
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.247674    0.008165   -0.930165
      2          8           0       -2.635112    0.231968   -2.480467
      3          8           0       -3.516347   -2.174742    1.261618
      4          8           0        2.345506    2.298669    2.273757
      5          8           0        3.447106   -0.997016    1.578883
      6          7           0       -2.717660   -2.632474   -0.879641
      7          7           0       -3.205479    0.393207   -0.252860
      8          7           0        2.131674    1.100982    0.318783
      9          7           0       -1.741737   -3.620422    1.108069
     10          6           0       -2.808505    1.765290   -0.038697
     11          6           0       -3.697899   -1.721762   -1.438888
     12          6           0       -1.423162    2.134391   -0.596311
     13          6           0       -0.299220    1.203185   -0.167901
     14          6           0       -4.172797   -2.097821   -2.858835
     15          6           0        1.082037    1.925246   -0.235914
     16          6           0       -2.879760    2.146564    1.455696
     17          6           0       -3.140607   -0.266759   -1.450661
     18          6           0       -1.532942   -2.917388   -1.663487
     19          6           0       -0.277942   -3.197489   -0.840968
     20          6           0        1.380982    2.326804   -1.692700
     21          6           0       -2.674759   -2.758825    0.525862
     22          6           0       -5.284956   -1.154995   -3.278081
     23          6           0       -4.671292   -3.526765   -2.912139
     24          6           0       -0.596578   -4.074764    0.366265
     25          6           0       -4.260341    2.040736    1.999973
     26          6           0        2.651563    3.085815   -1.832688
     27          6           0        2.636273    1.300370    1.582306
     28          6           0       -5.125957    3.139323    1.931173
     29          6           0       -4.704168    0.854074    2.596652
     30          6           0        2.731954    4.413457   -1.394108
     31          6           0        3.774190    2.489606   -2.418258
     32          6           0        3.658887    0.306324    2.132435
     33          6           0       -6.415886    3.053154    2.451228
     34          6           0       -5.996017    0.771113    3.115088
     35          6           0       -6.853084    1.868857    3.044394
     36          6           0        3.916415    5.132366   -1.541045
     37          6           0        4.957839    3.211383   -2.565896
     38          6           0        5.031059    4.533277   -2.128368
     39          6           0        4.614461   -1.662472    1.212408
     40          6           0        4.737305   -2.057592   -0.133751
     41          6           0        5.574226   -2.029333    2.173254
     42          6           0        5.851956   -2.814650   -0.508286
     43          6           0        6.680750   -2.779502    1.759953
     44          6           0        3.710652   -1.693477   -1.136339
     45          6           0        5.427372   -1.648965    3.596654
     46          6           0        6.819940   -3.166246    0.429560
     47          1           0       -3.551319    2.423060   -0.591871
     48          1           0       -4.610025   -1.758248   -0.764008
     49          1           0       -1.491961    2.141104   -1.719103
     50          1           0       -1.188846    3.177730   -0.258944
     51          1           0       -0.470961    0.849657    0.890511
     52          1           0       -3.308947   -1.972848   -3.570319
     53          1           0        1.012207    2.866482    0.388779
     54          1           0       -3.565257   -0.099019    0.540232
     55          1           0       -2.184206    1.496378    2.050522
     56          1           0       -2.516749    3.204545    1.553019
     57          1           0       -1.763845   -3.815484   -2.306916
     58          1           0       -1.322946   -2.039997   -2.345514
     59          1           0        0.469741   -3.720974   -1.488561
     60          1           0        0.175300   -2.225887   -0.504857
     61          1           0        1.405627    1.406102   -2.335054
     62          1           0        0.528843    2.965727   -2.050289
     63          1           0       -6.156489   -1.237436   -2.584958
     64          1           0       -5.627955   -1.413145   -4.309082
     65          1           0       -4.923467   -0.097939   -3.281340
     66          1           0       -5.431577   -3.707589   -2.114378
     67          1           0       -3.835605   -4.253436   -2.774320
     68          1           0       -5.145357   -3.724957   -3.904450
     69          1           0        0.300068   -4.113336    1.047560
     70          1           0       -0.805653   -5.126649    0.012207
     71          1           0        2.247776    0.202984   -0.097397
     72          1           0       -1.672546   -3.567363    2.098244
     73          1           0       -0.512368    0.216806   -1.837985
     74          1           0       -4.784001    4.075302    1.464990
     75          1           0       -4.038100   -0.023406    2.655729
     76          1           0        1.855820    4.886508   -0.926109
     77          1           0        3.723109    1.445198   -2.760783
     78          1           0        3.502296    0.226648    3.242271
     79          1           0        4.686657    0.695004    1.914737
     80          1           0       -7.088817    3.921107    2.393755
     81          1           0       -6.337239   -0.166328    3.578947
     82          1           0       -7.870833    1.801333    3.455093
     83          1           0        3.971966    6.173590   -1.191048
     84          1           0        5.835048    2.735629   -3.028090
     85          1           0        5.964905    5.101831   -2.244776
     86          1           0        5.962275   -3.132502   -1.556182
     87          1           0        7.443042   -3.070219    2.498704
     88          1           0        3.808895   -2.319359   -2.057258
     89          1           0        3.825348   -0.618518   -1.430234
     90          1           0        2.682708   -1.839819   -0.716800
     91          1           0        6.078226   -2.280761    4.249754
     92          1           0        4.365203   -1.774539    3.925772
     93          1           0        5.717372   -0.577733    3.744022
     94          1           0        7.695282   -3.755798    0.118846
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832286      0.0419919      0.0367854
 Standard basis: VSTO-6G (5D, 7F)
 There are   232 symmetry adapted basis functions of A   symmetry.
 Integral buffers will be    262144 words long.
 Regular integral format.
 Two-electron integral symmetry is turned off.
   232 basis functions,  1392 primitive gaussians,   232 cartesian basis functions
   123 alpha electrons      123 beta electrons
       nuclear repulsion energy      3252.9616219287 Hartrees.
 Do NDO integrals.
 One-electron integrals computed using PRISM.
 NBasis=   232 RedAO= F  NBF=   232
 NBsUse=   232 1.00D-04 NBFU=   232
 Initial guess read from the read-write file.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Initial guess orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Overlap will be assumed to be unity.
 Keep J ints in memory in canonical form, NReq=1166746.
 SCF Done:  E(RAM1) = -0.247893735857     A.U. after    8 cycles
             Convg  =    0.6429D-08             -V/T =  0.9995
 Calling FoFJK, ICntrl=      2127 FMM=F ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000001179   -0.000005244   -0.000000816
      2        8          -0.000001529   -0.000000121   -0.000001282
      3        8          -0.000003996    0.000001191   -0.000003968
      4        8          -0.000000702    0.000001194   -0.000000449
      5        8          -0.000002032    0.000002848    0.000000787
      6        7          -0.000006407   -0.000002601    0.000004973
      7        7          -0.000006666   -0.000004561   -0.000003406
      8        7           0.000003527    0.000002278    0.000002300
      9        7          -0.000005269    0.000001634   -0.000000804
     10        6           0.000002829    0.000003619    0.000002291
     11        6           0.000001750   -0.000000508   -0.000000681
     12        6           0.000001785   -0.000001857   -0.000001388
     13        6          -0.000003322    0.000003206    0.000003267
     14        6          -0.000000362    0.000001137    0.000002427
     15        6           0.000002664    0.000000654   -0.000000701
     16        6          -0.000001329    0.000000524    0.000000383
     17        6           0.000003203    0.000000840    0.000005244
     18        6           0.000000096   -0.000000479   -0.000002043
     19        6          -0.000000907   -0.000001281    0.000001565
     20        6          -0.000002467   -0.000000879    0.000001643
     21        6           0.000014000    0.000000999    0.000000294
     22        6           0.000000758    0.000000087   -0.000000570
     23        6          -0.000000778   -0.000002391   -0.000002681
     24        6           0.000001169    0.000001507   -0.000002050
     25        6          -0.000000316   -0.000001352    0.000000322
     26        6           0.000000378    0.000000229    0.000000716
     27        6           0.000000216    0.000000271    0.000000841
     28        6           0.000000125   -0.000000055   -0.000000512
     29        6          -0.000000413    0.000000131   -0.000000312
     30        6          -0.000000278   -0.000000245   -0.000000203
     31        6           0.000000671   -0.000001239   -0.000000578
     32        6          -0.000001055   -0.000001351   -0.000001492
     33        6           0.000000688    0.000000151    0.000000644
     34        6          -0.000000937    0.000000003   -0.000000655
     35        6           0.000000480   -0.000000597    0.000000313
     36        6           0.000000713   -0.000000459    0.000000534
     37        6          -0.000000449    0.000000584   -0.000000220
     38        6          -0.000000546    0.000000718   -0.000000206
     39        6          -0.000000194    0.000000029    0.000002805
     40        6          -0.000002985    0.000000247    0.000000205
     41        6          -0.000000639    0.000002024   -0.000002102
     42        6          -0.000000848   -0.000000979   -0.000000001
     43        6           0.000001602   -0.000000239   -0.000001447
     44        6           0.000001951    0.000001225   -0.000001299
     45        6          -0.000000841   -0.000001250    0.000000930
     46        6           0.000000928   -0.000000732    0.000001292
     47        1          -0.000000474   -0.000000260    0.000001276
     48        1          -0.000001635    0.000002337   -0.000001252
     49        1          -0.000000794   -0.000000341   -0.000001014
     50        1           0.000000452   -0.000000375   -0.000000427
     51        1           0.000000691    0.000001052   -0.000000712
     52        1           0.000000437   -0.000000548   -0.000000296
     53        1          -0.000000170    0.000000386   -0.000000694
     54        1           0.000004297    0.000000362   -0.000000083
     55        1           0.000000983   -0.000000245   -0.000000406
     56        1          -0.000000393   -0.000000286   -0.000000011
     57        1           0.000000216    0.000001230    0.000000997
     58        1           0.000000219    0.000000131   -0.000001089
     59        1           0.000000212   -0.000000343   -0.000000085
     60        1          -0.000000562   -0.000000099   -0.000001151
     61        1           0.000000005    0.000001118    0.000000910
     62        1          -0.000000879    0.000000380   -0.000000137
     63        1          -0.000000075    0.000000751   -0.000000301
     64        1          -0.000000272    0.000000076    0.000000772
     65        1           0.000000248   -0.000000771   -0.000000534
     66        1          -0.000000032    0.000000766   -0.000000584
     67        1           0.000000858    0.000000012    0.000000328
     68        1          -0.000000376   -0.000000228    0.000001154
     69        1          -0.000000052   -0.000000120    0.000000198
     70        1          -0.000000772   -0.000000339    0.000000648
     71        1          -0.000000164   -0.000000285   -0.000000472
     72        1          -0.000000539   -0.000002023    0.000001718
     73        1           0.000004206    0.000001473   -0.000001172
     74        1          -0.000000144   -0.000000398    0.000000093
     75        1           0.000001253    0.000000370    0.000000344
     76        1          -0.000000466    0.000000088   -0.000000157
     77        1          -0.000000134    0.000000397    0.000000474
     78        1           0.000000314    0.000000059   -0.000000548
     79        1           0.000000269   -0.000001700    0.000000409
     80        1          -0.000000328   -0.000000038   -0.000000525
     81        1           0.000000248    0.000000323    0.000000278
     82        1          -0.000000248    0.000000464   -0.000000121
     83        1          -0.000000227   -0.000000139   -0.000000372
     84        1           0.000000358   -0.000000379    0.000000145
     85        1           0.000000228   -0.000000530   -0.000000099
     86        1          -0.000000372   -0.000000106    0.000001026
     87        1           0.000000783   -0.000000196   -0.000000420
     88        1           0.000000511    0.000000459    0.000000184
     89        1          -0.000001143   -0.000000934   -0.000001525
     90        1          -0.000000610   -0.000000628   -0.000000713
     91        1           0.000000901    0.000000368    0.000000033
     92        1          -0.000000381    0.000000594    0.000000042
     93        1          -0.000000308   -0.000000612   -0.000000078
     94        1           0.000000775   -0.000000181    0.000000039
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000014000 RMS     0.000001698

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 Internal  Forces:  Max     0.000008770 RMS     0.000001270
 Search for a local minimum.
 Step number  48 out of a maximum of  532
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swaping is turned off.
 Update second derivatives using D2CorX and points   29   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48
 DE= -6.82D-09 DEPred=-5.60D-09 R= 1.22D+00
 Trust test= 1.22D+00 RLast= 1.95D-03 DXMaxT set to 1.24D+00
     Eigenvalues ---    0.00047   0.00141   0.00187   0.00194   0.00214
     Eigenvalues ---    0.00231   0.00239   0.00264   0.00328   0.00365
     Eigenvalues ---    0.00408   0.00468   0.00491   0.00546   0.00553
     Eigenvalues ---    0.00566   0.00646   0.00707   0.00771   0.00973
     Eigenvalues ---    0.01103   0.01144   0.01419   0.01440   0.01447
     Eigenvalues ---    0.01482   0.01501   0.01560   0.01710   0.01947
     Eigenvalues ---    0.01984   0.02074   0.02111   0.02123   0.02133
     Eigenvalues ---    0.02151   0.02154   0.02156   0.02162   0.02165
     Eigenvalues ---    0.02168   0.02172   0.02175   0.02177   0.02177
     Eigenvalues ---    0.02179   0.02180   0.02184   0.02187   0.02188
     Eigenvalues ---    0.02197   0.02214   0.02319   0.02345   0.02475
     Eigenvalues ---    0.03159   0.03343   0.03432   0.03493   0.03827
     Eigenvalues ---    0.03997   0.04014   0.04127   0.04310   0.04362
     Eigenvalues ---    0.04456   0.04489   0.04656   0.04721   0.04888
     Eigenvalues ---    0.05009   0.05027   0.05069   0.05099   0.05309
     Eigenvalues ---    0.05365   0.05440   0.05461   0.05522   0.05595
     Eigenvalues ---    0.05611   0.05647   0.05662   0.05745   0.05928
     Eigenvalues ---    0.06077   0.06502   0.06927   0.07056   0.07118
     Eigenvalues ---    0.07190   0.07284   0.07396   0.07578   0.07617
     Eigenvalues ---    0.07934   0.08109   0.08324   0.08830   0.09247
     Eigenvalues ---    0.09466   0.09520   0.09757   0.11100   0.11677
     Eigenvalues ---    0.12156   0.12615   0.12933   0.13018   0.14124
     Eigenvalues ---    0.14464   0.15359   0.15739   0.15906   0.15939
     Eigenvalues ---    0.15977   0.15989   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16001   0.16002   0.16003   0.16005   0.16007
     Eigenvalues ---    0.16012   0.16017   0.16024   0.16028   0.16061
     Eigenvalues ---    0.16090   0.16209   0.16245   0.16680   0.16957
     Eigenvalues ---    0.17739   0.18001   0.19324   0.19488   0.19782
     Eigenvalues ---    0.20388   0.20823   0.21149   0.21808   0.21932
     Eigenvalues ---    0.21999   0.22000   0.22005   0.22066   0.22141
     Eigenvalues ---    0.22553   0.23046   0.23357   0.23401   0.23487
     Eigenvalues ---    0.23545   0.23746   0.23840   0.24123   0.24699
     Eigenvalues ---    0.24708   0.24881   0.24977   0.25022   0.25245
     Eigenvalues ---    0.25729   0.26182   0.26687   0.27001   0.27565
     Eigenvalues ---    0.28150   0.28438   0.28616   0.28747   0.29103
     Eigenvalues ---    0.29200   0.29507   0.30007   0.30591   0.30923
     Eigenvalues ---    0.31290   0.31800   0.32236   0.32672   0.33283
     Eigenvalues ---    0.34040   0.34455   0.34488   0.34495   0.34596
     Eigenvalues ---    0.34615   0.34647   0.34665   0.34698   0.34707
     Eigenvalues ---    0.34727   0.34729   0.34740   0.34751   0.34761
     Eigenvalues ---    0.34769   0.34774   0.34787   0.34794   0.34798
     Eigenvalues ---    0.34820   0.34823   0.34831   0.34839   0.34851
     Eigenvalues ---    0.34891   0.34924   0.35046   0.35073   0.35171
     Eigenvalues ---    0.35568   0.35885   0.35897   0.35930   0.35953
     Eigenvalues ---    0.35970   0.35984   0.35993   0.35999   0.36016
     Eigenvalues ---    0.36031   0.36041   0.36057   0.36215   0.36812
     Eigenvalues ---    0.37382   0.39180   0.40131   0.40666   0.41727
     Eigenvalues ---    0.42274   0.42327   0.42464   0.42999   0.43790
     Eigenvalues ---    0.43924   0.45085   0.45458   0.45810   0.46125
     Eigenvalues ---    0.46162   0.46346   0.46372   0.46498   0.46555
     Eigenvalues ---    0.46755   0.46769   0.46882   0.47109   0.47371
     Eigenvalues ---    0.47702   0.48235   0.51232   0.51934   0.53098
     Eigenvalues ---    0.56099   0.58088   0.59089   0.61291   0.62674
     Eigenvalues ---    0.68252   0.73763   0.89472   0.91481   0.92671
     Eigenvalues ---    0.994951000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    48   47   46   45   44
 RFO step:  Lambda= 0.00000000D+00.
 DIIS coeffs:      1.19192     -0.04001     -0.19932     -0.06819      0.11560
 Iteration  1 RMS(Cart)=  0.00016836 RMS(Int)=  0.00000001
 Iteration  2 RMS(Cart)=  0.00000003 RMS(Int)=  0.00000000
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                  (DIIS)     (GDIIS)  (Total)
    R1        2.68033   0.00000   0.00000   0.00000   0.00000   2.68034
    R2        1.82995   0.00000   0.00000   0.00000   0.00000   1.82995
    R3        2.36386   0.00000   0.00000   0.00000   0.00000   2.36386
    R4        2.38342   0.00001   0.00000   0.00000   0.00000   2.38342
    R5        2.35970   0.00000   0.00000   0.00000   0.00000   2.35970
    R6        2.70565   0.00000   0.00000   0.00000   0.00000   2.70566
    R7        2.63198   0.00000   0.00000   0.00000   0.00000   2.63198
    R8        2.74044   0.00000   0.00000   0.00000   0.00000   2.74044
    R9        2.73792   0.00000   0.00000   0.00000   0.00000   2.73792
   R10        2.66796   0.00001  -0.00001   0.00001   0.00000   2.66796
   R11        2.72937   0.00000   0.00000  -0.00001  -0.00001   2.72937
   R12        2.58726   0.00000   0.00000   0.00000   0.00000   2.58726
   R13        1.89041   0.00000  -0.00001   0.00000   0.00000   1.89041
   R14        2.73119   0.00000   0.00000   0.00000   0.00000   2.73119
   R15        2.59854   0.00000   0.00000   0.00000   0.00001   2.59854
   R16        1.88318   0.00000   0.00000   0.00000   0.00000   1.88318
   R17        2.64011  -0.00001   0.00001   0.00000   0.00001   2.64012
   R18        2.71759   0.00000  -0.00001   0.00001   0.00001   2.71759
   R19        1.87840   0.00000   0.00000   0.00000   0.00000   1.87840
   R20        2.90695   0.00000   0.00000   0.00000   0.00000   2.90695
   R21        2.91757   0.00000  -0.00001   0.00000  -0.00001   2.91756
   R22        2.14668   0.00000   0.00000   0.00000   0.00000   2.14668
   R23        2.91729   0.00000   0.00001   0.00000   0.00000   2.91729
   R24        2.94443   0.00000  -0.00001   0.00000  -0.00001   2.94442
   R25        2.14529   0.00000   0.00000   0.00000   0.00000   2.14530
   R26        2.87457   0.00000   0.00000   0.00000   0.00000   2.87457
   R27        2.12579   0.00000   0.00000   0.00000   0.00000   2.12579
   R28        2.11892   0.00000   0.00000   0.00000   0.00000   2.11892
   R29        2.94814   0.00000   0.00000  -0.00001   0.00000   2.94813
   R30        2.13356   0.00000   0.00000   0.00000   0.00000   2.13356
   R31        2.86690   0.00000   0.00000   0.00000   0.00000   2.86690
   R32        2.86168   0.00000   0.00000  -0.00001   0.00000   2.86168
   R33        2.12799   0.00000   0.00000   0.00000   0.00000   2.12799
   R34        2.91094   0.00000   0.00000   0.00001   0.00001   2.91095
   R35        2.13885   0.00000   0.00000   0.00000   0.00000   2.13885
   R36        2.81147   0.00000   0.00000   0.00000   0.00000   2.81146
   R37        2.12151   0.00000   0.00000   0.00000   0.00000   2.12151
   R38        2.12169   0.00000   0.00000   0.00000   0.00000   2.12170
   R39        2.88455   0.00000   0.00000   0.00000   0.00000   2.88456
   R40        2.13287   0.00000   0.00000   0.00000   0.00000   2.13288
   R41        2.13721   0.00000   0.00000   0.00000   0.00000   2.13720
   R42        2.88365   0.00000   0.00000   0.00001   0.00001   2.88365
   R43        2.11484   0.00000   0.00000   0.00000   0.00000   2.11484
   R44        2.12324   0.00000   0.00000   0.00000   0.00000   2.12324
   R45        2.80933   0.00000   0.00000   0.00001   0.00000   2.80933
   R46        2.12199   0.00000   0.00000   0.00000   0.00000   2.12199
   R47        2.12309   0.00000   0.00000   0.00000   0.00000   2.12309
   R48        2.11006   0.00000   0.00000   0.00000   0.00000   2.11006
   R49        2.11046   0.00000   0.00000   0.00000   0.00000   2.11046
   R50        2.11113   0.00000   0.00000   0.00000   0.00000   2.11113
   R51        2.11037   0.00000   0.00000   0.00000   0.00000   2.11037
   R52        2.10890   0.00000   0.00000   0.00000   0.00000   2.10890
   R53        2.11168   0.00000   0.00000   0.00000   0.00000   2.11168
   R54        2.12930   0.00000   0.00000   0.00000   0.00000   2.12930
   R55        2.13425   0.00000   0.00000   0.00000   0.00000   2.13425
   R56        2.64624   0.00000   0.00000   0.00000   0.00000   2.64624
   R57        2.64641   0.00000   0.00000   0.00000   0.00000   2.64641
   R58        2.64659   0.00000   0.00000   0.00000   0.00000   2.64659
   R59        2.64470   0.00000   0.00000   0.00000   0.00000   2.64471
   R60        2.88857   0.00000   0.00000   0.00000   0.00000   2.88857
   R61        2.63330   0.00000   0.00000   0.00000   0.00000   2.63330
   R62        2.07897   0.00000   0.00000   0.00000   0.00000   2.07897
   R63        2.63516   0.00000   0.00000   0.00000   0.00000   2.63516
   R64        2.08479   0.00000   0.00000   0.00000   0.00000   2.08480
   R65        2.63301   0.00000   0.00000   0.00000   0.00000   2.63301
   R66        2.07905   0.00000   0.00000   0.00000   0.00000   2.07905
   R67        2.63465   0.00000   0.00000   0.00000   0.00000   2.63465
   R68        2.07932   0.00000   0.00000   0.00000   0.00000   2.07932
   R69        2.12341   0.00000   0.00000   0.00000   0.00000   2.12340
   R70        2.11681   0.00000   0.00000   0.00000   0.00000   2.11681
   R71        2.63584   0.00000   0.00000   0.00000   0.00000   2.63584
   R72        2.07825   0.00000   0.00000   0.00000   0.00000   2.07825
   R73        2.63520   0.00000   0.00000   0.00000   0.00000   2.63521
   R74        2.07904   0.00000   0.00000   0.00000   0.00000   2.07904
   R75        2.07788   0.00000   0.00000   0.00000   0.00000   2.07788
   R76        2.63635   0.00000   0.00000   0.00000   0.00000   2.63634
   R77        2.07847   0.00000   0.00000   0.00000   0.00000   2.07847
   R78        2.63493   0.00000   0.00000   0.00000   0.00000   2.63493
   R79        2.07824   0.00000   0.00000   0.00000   0.00000   2.07824
   R80        2.07773   0.00000   0.00000   0.00000   0.00000   2.07773
   R81        2.66133   0.00000   0.00001   0.00000   0.00000   2.66133
   R82        2.65838   0.00000  -0.00001   0.00000   0.00000   2.65838
   R83        2.64282   0.00000   0.00000   0.00000   0.00000   2.64282
   R84        2.79767   0.00000   0.00000   0.00000   0.00000   2.79767
   R85        2.64424   0.00000   0.00000   0.00000   0.00000   2.64425
   R86        2.79802   0.00000   0.00000   0.00000   0.00000   2.79801
   R87        2.63220   0.00000   0.00000   0.00000   0.00001   2.63220
   R88        2.07980   0.00000   0.00000   0.00000   0.00000   2.07980
   R89        2.63133   0.00000   0.00000   0.00000   0.00000   2.63133
   R90        2.07987   0.00000   0.00000   0.00000   0.00000   2.07987
   R91        2.11233   0.00000   0.00000   0.00000   0.00000   2.11233
   R92        2.11706   0.00000   0.00000   0.00000   0.00000   2.11706
   R93        2.11624   0.00000   0.00000   0.00000   0.00000   2.11624
   R94        2.11220   0.00000   0.00000   0.00000   0.00000   2.11220
   R95        2.11471   0.00000   0.00000   0.00000   0.00000   2.11471
   R96        2.11561   0.00000   0.00000   0.00000   0.00000   2.11561
   R97        2.07899   0.00000   0.00000   0.00000   0.00000   2.07899
    A1        1.88847   0.00000   0.00000   0.00001   0.00001   1.88848
    A2        1.99620   0.00000   0.00000  -0.00001  -0.00001   1.99618
    A3        2.05734   0.00000   0.00000   0.00000   0.00000   2.05734
    A4        2.04953   0.00000   0.00000   0.00000   0.00001   2.04954
    A5        2.08995   0.00000   0.00000  -0.00001  -0.00001   2.08994
    A6        2.18295   0.00000  -0.00001   0.00000  -0.00001   2.18293
    A7        2.03614   0.00000   0.00001   0.00001   0.00001   2.03615
    A8        2.06401   0.00000   0.00001   0.00000   0.00000   2.06401
    A9        2.13704   0.00000   0.00000  -0.00001  -0.00001   2.13703
   A10        2.02445   0.00000   0.00000  -0.00001   0.00000   2.02444
   A11        2.06196   0.00000   0.00001  -0.00001  -0.00001   2.06195
   A12        2.10794   0.00000  -0.00001  -0.00001  -0.00002   2.10792
   A13        2.01384   0.00000  -0.00001  -0.00002  -0.00003   2.01381
   A14        2.06607   0.00000   0.00000  -0.00002  -0.00001   2.06606
   A15        2.00613   0.00000   0.00000   0.00000  -0.00001   2.00612
   A16        1.94490   0.00000   0.00001   0.00001   0.00001   1.94492
   A17        1.87354   0.00000   0.00000   0.00000  -0.00001   1.87354
   A18        1.91046   0.00000   0.00000  -0.00001  -0.00001   1.91046
   A19        1.84776   0.00000  -0.00001   0.00000   0.00000   1.84775
   A20        1.87357   0.00000   0.00001   0.00000   0.00001   1.87358
   A21        1.99288   0.00000   0.00000  -0.00001   0.00000   1.99288
   A22        1.92579   0.00000   0.00000   0.00000   0.00000   1.92580
   A23        1.86885   0.00000  -0.00001   0.00001   0.00000   1.86885
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   D95       -0.61217   0.00000   0.00004   0.00000   0.00004  -0.61213
   D96        1.48907   0.00000   0.00004   0.00000   0.00004   1.48911
   D97       -1.06997   0.00000   0.00000   0.00000   0.00000  -1.06996
   D98        1.09462   0.00000   0.00001   0.00000   0.00001   1.09463
   D99       -3.13155   0.00000   0.00000   0.00001   0.00001  -3.13154
   D100       3.02247   0.00000   0.00000   0.00000   0.00000   3.02247
   D101      -1.09613   0.00000   0.00001   0.00000   0.00001  -1.09612
   D102       0.96089   0.00000   0.00000   0.00001   0.00001   0.96089
   D103       0.90694   0.00000   0.00000   0.00000   0.00000   0.90694
   D104       3.07152   0.00000   0.00000   0.00000   0.00001   3.07153
   D105      -1.15465   0.00000   0.00000   0.00001   0.00001  -1.15464
   D106      -1.06311   0.00000  -0.00001   0.00002   0.00000  -1.06311
   D107       3.13158   0.00000  -0.00001   0.00002   0.00000   3.13159
   D108       1.04633   0.00000  -0.00001   0.00002   0.00000   1.04633
   D109       1.06891   0.00000  -0.00001   0.00001   0.00000   1.06892
   D110      -1.01958   0.00000  -0.00001   0.00001   0.00000  -1.01957
   D111      -3.10483   0.00000  -0.00001   0.00001   0.00000  -3.10483
   D112      -3.12574   0.00000  -0.00001   0.00002   0.00001  -3.12573
   D113       1.06896   0.00000  -0.00001   0.00002   0.00001   1.06897
   D114      -1.01630   0.00000  -0.00001   0.00002   0.00001  -1.01629
   D115       0.90880   0.00000  -0.00003   0.00001  -0.00002   0.90877
   D116      -1.19626   0.00000  -0.00003   0.00001  -0.00002  -1.19628
   D117       2.99711   0.00000  -0.00003   0.00001  -0.00002   2.99708
   D118      -1.20066   0.00000  -0.00003   0.00001  -0.00002  -1.20069
   D119       2.97747   0.00000  -0.00003   0.00001  -0.00002   2.97745
   D120       0.88765   0.00000  -0.00003   0.00001  -0.00002   0.88762
   D121       3.00454   0.00000  -0.00003   0.00000  -0.00003   3.00451
   D122       0.89949   0.00000  -0.00003   0.00000  -0.00003   0.89946
   D123      -1.19034   0.00000  -0.00003   0.00000  -0.00003  -1.19037
   D124      -1.03471   0.00000  -0.00001   0.00000   0.00000  -1.03471
   D125       1.11348   0.00000  -0.00001   0.00001   0.00000   1.11348
   D126      -3.13677   0.00000  -0.00001   0.00000   0.00000  -3.13678
   D127       3.08918   0.00000  -0.00001   0.00000  -0.00001   3.08917
   D128      -1.04582   0.00000  -0.00001   0.00001  -0.00001  -1.04582
   D129       0.98711   0.00000  -0.00001   0.00000  -0.00001   0.98710
   D130       1.03938   0.00000  -0.00001   0.00001   0.00000   1.03938
   D131      -3.09562   0.00000  -0.00001   0.00001   0.00000  -3.09562
   D132      -1.06269   0.00000  -0.00001   0.00001   0.00000  -1.06269
   D133      -1.55219   0.00000  -0.00001  -0.00002  -0.00003  -1.55222
   D134       1.60122   0.00000   0.00000  -0.00001  -0.00002   1.60121
   D135       2.58937   0.00000  -0.00001  -0.00003  -0.00004   2.58933
   D136      -0.54040   0.00000  -0.00001  -0.00002  -0.00003  -0.54043
   D137       0.53305   0.00000  -0.00001  -0.00002  -0.00004   0.53301
   D138      -2.59672   0.00000  -0.00001  -0.00002  -0.00002  -2.59675
   D139       0.72304   0.00000   0.00003   0.00000   0.00003   0.72307
   D140       2.82191   0.00000   0.00003   0.00000   0.00003   2.82194
   D141      -1.40506   0.00000   0.00003   0.00001   0.00004  -1.40502
   D142      -1.37915   0.00000   0.00003   0.00000   0.00003  -1.37912
   D143       0.71971   0.00000   0.00003   0.00000   0.00004   0.71975
   D144       2.77593   0.00000   0.00004   0.00001   0.00004   2.77597
   D145       2.85163   0.00000   0.00002   0.00000   0.00002   2.85165
   D146      -1.33269   0.00000   0.00003   0.00000   0.00003  -1.33267
   D147       0.72352   0.00000   0.00003   0.00000   0.00003   0.72355
   D148      -0.83450   0.00000  -0.00002  -0.00003  -0.00005  -0.83455
   D149      -2.96817   0.00000  -0.00002  -0.00004  -0.00006  -2.96823
   D150       1.26245   0.00000  -0.00002  -0.00004  -0.00006   1.26239
   D151      -2.93019   0.00000  -0.00002  -0.00003  -0.00005  -2.93024
   D152       1.21933   0.00000  -0.00002  -0.00004  -0.00006   1.21926
   D153      -0.83324   0.00000  -0.00002  -0.00004  -0.00006  -0.83330
   D154       1.28707   0.00000  -0.00002  -0.00003  -0.00005   1.28702
   D155      -0.84660   0.00000  -0.00002  -0.00004  -0.00007  -0.84667
   D156      -2.89917   0.00000  -0.00002  -0.00005  -0.00007  -2.89923
   D157      -1.27346   0.00000  -0.00005  -0.00001  -0.00006  -1.27352
   D158       1.88231   0.00000  -0.00006  -0.00001  -0.00006   1.88225
   D159       2.87013   0.00000  -0.00005  -0.00001  -0.00007   2.87006
   D160      -0.25729   0.00000  -0.00006  -0.00001  -0.00007  -0.25735
   D161       0.81293   0.00000  -0.00005  -0.00001  -0.00006   0.81287
   D162      -2.31448   0.00000  -0.00006  -0.00001  -0.00006  -2.31454
   D163      -3.12974   0.00000   0.00000   0.00001   0.00000  -3.12973
   D164       0.01039   0.00000   0.00000   0.00001   0.00001   0.01039
   D165       0.00019   0.00000   0.00000   0.00000  -0.00001   0.00018
   D166       3.14032   0.00000   0.00000   0.00000   0.00000   3.14031
   D167       3.13053   0.00000   0.00001  -0.00001   0.00000   3.13053
   D168      -0.01684   0.00000   0.00001  -0.00001   0.00001  -0.01683
   D169       0.00068   0.00000   0.00001   0.00000   0.00001   0.00069
   D170       3.13650   0.00000   0.00001   0.00000   0.00002   3.13652
   D171      -3.12626   0.00000   0.00000   0.00000  -0.00001  -3.12627
   D172       0.02180   0.00000  -0.00001   0.00000  -0.00001   0.02179
   D173       0.00133   0.00000   0.00000   0.00000  -0.00001   0.00132
   D174      -3.13380   0.00000   0.00000  -0.00001  -0.00001  -3.13381
   D175       3.12474   0.00000   0.00000   0.00000   0.00000   3.12475
   D176      -0.02023   0.00000   0.00000   0.00000   0.00000  -0.02023
   D177      -0.00281   0.00000   0.00000   0.00000   0.00000  -0.00281
   D178       3.13540   0.00000   0.00000   0.00001   0.00000   3.13541
   D179       2.68698   0.00000  -0.00013  -0.00013  -0.00026   2.68672
   D180       0.64255   0.00000  -0.00014  -0.00013  -0.00027   0.64228
   D181      -1.44117   0.00000  -0.00015  -0.00014  -0.00029  -1.44146
   D182      -0.51789   0.00000  -0.00013  -0.00015  -0.00029  -0.51817
   D183      -2.56232   0.00000  -0.00014  -0.00015  -0.00030  -2.56262
   D184       1.63714   0.00000  -0.00015  -0.00016  -0.00031   1.63683
   D185      -0.00030   0.00000   0.00000   0.00000   0.00000  -0.00030
   D186       3.14063   0.00000   0.00000  -0.00001   0.00000   3.14062
   D187      -3.14043   0.00000   0.00000   0.00000   0.00000  -3.14043
   D188       0.00050   0.00000   0.00000   0.00000   0.00000   0.00050
   D189      -0.00145   0.00000  -0.00001   0.00000  -0.00001  -0.00146
   D190       3.13793   0.00000  -0.00001   0.00000  -0.00001   3.13792
   D191      -3.13732   0.00000  -0.00001   0.00000  -0.00001  -3.13734
   D192       0.00206   0.00000  -0.00001   0.00000  -0.00002   0.00204
   D193       0.00121   0.00000   0.00000   0.00000   0.00000   0.00122
   D194      -3.13829   0.00000   0.00000   0.00000   0.00000  -3.13828
   D195       3.13632   0.00000   0.00001   0.00000   0.00001   3.13633
   D196      -0.00318   0.00000   0.00001   0.00000   0.00001  -0.00317
   D197       0.00175   0.00000   0.00000   0.00000   0.00000   0.00175
   D198      -3.14046   0.00000   0.00001   0.00000   0.00001  -3.14046
   D199      -3.13646   0.00000   0.00001   0.00000   0.00000  -3.13646
   D200       0.00451   0.00000   0.00001   0.00000   0.00001   0.00452
   D201      -0.00046   0.00000   0.00000   0.00000   0.00000  -0.00046
   D202       3.14109   0.00000   0.00000   0.00000   0.00000   3.14109
   D203      -3.14139   0.00000   0.00000   0.00001   0.00001  -3.14138
   D204       0.00016   0.00000   0.00000   0.00000   0.00001   0.00016
   D205       0.00134   0.00000   0.00000   0.00000   0.00000   0.00134
   D206      -3.14021   0.00000   0.00000   0.00000   0.00000  -3.14021
   D207      -3.13803   0.00000   0.00000   0.00000   0.00000  -3.13803
   D208       0.00360   0.00000   0.00000   0.00000   0.00000   0.00361
   D209      -0.00229   0.00000   0.00000   0.00000   0.00000  -0.00229
   D210       3.14048   0.00000   0.00000   0.00000   0.00000   3.14048
   D211       3.13721   0.00000   0.00000   0.00000   0.00000   3.13721
   D212      -0.00321   0.00000   0.00000   0.00000   0.00000  -0.00321
   D213       0.00081   0.00000   0.00000   0.00000   0.00000   0.00081
   D214       3.14123   0.00000   0.00000   0.00000   0.00000   3.14123
   D215      -3.14016   0.00000   0.00000   0.00000  -0.00001  -3.14017
   D216       0.00026   0.00000   0.00000   0.00000   0.00000   0.00025
   D217      -3.05917   0.00000  -0.00001  -0.00002  -0.00003  -3.05920
   D218       0.07493   0.00000  -0.00001  -0.00001  -0.00001   0.07491
   D219      -0.01507   0.00000   0.00000   0.00001   0.00000  -0.01506
   D220       3.11903   0.00000   0.00000   0.00002   0.00002   3.11905
   D221       3.06294   0.00000   0.00001   0.00003   0.00003   3.06298
   D222      -0.06957   0.00000   0.00001   0.00001   0.00001  -0.06956
   D223       0.02255   0.00000   0.00000  -0.00001   0.00000   0.02254
   D224      -3.10996   0.00000   0.00000  -0.00003  -0.00003  -3.10999
   D225      -0.00291   0.00000   0.00000   0.00000   0.00000  -0.00291
   D226       3.14030   0.00000   0.00000   0.00000   0.00000   3.14030
   D227      -3.13707   0.00000   0.00000  -0.00002  -0.00002  -3.13709
   D228       0.00613   0.00000   0.00000  -0.00001  -0.00002   0.00612
   D229      -2.85688   0.00000   0.00002   0.00000   0.00002  -2.85686
   D230       1.33603   0.00000   0.00002  -0.00001   0.00002   1.33604
   D231      -0.75564   0.00000   0.00002  -0.00001   0.00002  -0.75562
   D232       0.27709   0.00000   0.00002   0.00001   0.00004   0.27712
   D233      -1.81320   0.00000   0.00002   0.00001   0.00004  -1.81316
   D234       2.37833   0.00000   0.00003   0.00001   0.00004   2.37836
   D235      -0.01224   0.00000   0.00000   0.00000   0.00000  -0.01224
   D236       3.13639   0.00000   0.00000  -0.00001   0.00000   3.13639
   D237       3.12040   0.00000   0.00000   0.00002   0.00002   3.12042
   D238      -0.01415   0.00000   0.00001   0.00001   0.00002  -0.01413
   D239       2.82462   0.00000  -0.00004   0.00001  -0.00002   2.82460
   D240       0.72395   0.00000  -0.00003   0.00001  -0.00002   0.72392
   D241      -1.36456   0.00000  -0.00004   0.00001  -0.00002  -1.36459
   D242      -0.30775   0.00000  -0.00004  -0.00001  -0.00005  -0.30780
   D243      -2.40843   0.00000  -0.00004  -0.00001  -0.00005  -2.40848
   D244       1.78625   0.00000  -0.00004  -0.00001  -0.00005   1.78620
   D245       0.01300   0.00000   0.00000  -0.00001   0.00000   0.01300
   D246      -3.13368   0.00000   0.00000   0.00000   0.00001  -3.13367
   D247      -3.13021   0.00000   0.00000  -0.00001  -0.00001  -3.13022
   D248       0.00630   0.00000   0.00000   0.00000   0.00000   0.00630
   D249      -0.00524   0.00000   0.00000   0.00001   0.00000  -0.00523
   D250       3.14144   0.00000   0.00000   0.00000  -0.00001   3.14143
   D251       3.12928   0.00000  -0.00001   0.00001   0.00001   3.12929
   D252      -0.00723   0.00000  -0.00001   0.00000   0.00000  -0.00723
         Item               Value     Threshold  Converged?
 Maximum Force            0.000009     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.000852     0.001800     YES
 RMS     Displacement     0.000168     0.001200     YES
 Predicted change in Energy=-2.162357D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! R1    R(1,13)                 1.4184         -DE/DX =    0.0                 !
 ! R2    R(1,73)                 0.9684         -DE/DX =    0.0                 !
 ! R3    R(2,17)                 1.2509         -DE/DX =    0.0                 !
 ! R4    R(3,21)                 1.2613         -DE/DX =    0.0                 !
 ! R5    R(4,27)                 1.2487         -DE/DX =    0.0                 !
 ! R6    R(5,32)                 1.4318         -DE/DX =    0.0                 !
 ! R7    R(5,39)                 1.3928         -DE/DX =    0.0                 !
 ! R8    R(6,11)                 1.4502         -DE/DX =    0.0                 !
 ! R9    R(6,18)                 1.4488         -DE/DX =    0.0                 !
 ! R10   R(6,21)                 1.4118         -DE/DX =    0.0                 !
 ! R11   R(7,10)                 1.4443         -DE/DX =    0.0                 !
 ! R12   R(7,17)                 1.3691         -DE/DX =    0.0                 !
 ! R13   R(7,54)                 1.0004         -DE/DX =    0.0                 !
 ! R14   R(8,15)                 1.4453         -DE/DX =    0.0                 !
 ! R15   R(8,27)                 1.3751         -DE/DX =    0.0                 !
 ! R16   R(8,71)                 0.9965         -DE/DX =    0.0                 !
 ! R17   R(9,21)                 1.3971         -DE/DX =    0.0                 !
 ! R18   R(9,24)                 1.4381         -DE/DX =    0.0                 !
 ! R19   R(9,72)                 0.994          -DE/DX =    0.0                 !
 ! R20   R(10,12)                1.5383         -DE/DX =    0.0                 !
 ! R21   R(10,16)                1.5439         -DE/DX =    0.0                 !
 ! R22   R(10,47)                1.136          -DE/DX =    0.0                 !
 ! R23   R(11,14)                1.5438         -DE/DX =    0.0                 !
 ! R24   R(11,17)                1.5581         -DE/DX =    0.0                 !
 ! R25   R(11,48)                1.1352         -DE/DX =    0.0                 !
 ! R26   R(12,13)                1.5212         -DE/DX =    0.0                 !
 ! R27   R(12,49)                1.1249         -DE/DX =    0.0                 !
 ! R28   R(12,50)                1.1213         -DE/DX =    0.0                 !
 ! R29   R(13,15)                1.5601         -DE/DX =    0.0                 !
 ! R30   R(13,51)                1.129          -DE/DX =    0.0                 !
 ! R31   R(14,22)                1.5171         -DE/DX =    0.0                 !
 ! R32   R(14,23)                1.5143         -DE/DX =    0.0                 !
 ! R33   R(14,52)                1.1261         -DE/DX =    0.0                 !
 ! R34   R(15,20)                1.5404         -DE/DX =    0.0                 !
 ! R35   R(15,53)                1.1318         -DE/DX =    0.0                 !
 ! R36   R(16,25)                1.4878         -DE/DX =    0.0                 !
 ! R37   R(16,55)                1.1227         -DE/DX =    0.0                 !
 ! R38   R(16,56)                1.1228         -DE/DX =    0.0                 !
 ! R39   R(18,19)                1.5264         -DE/DX =    0.0                 !
 ! R40   R(18,57)                1.1287         -DE/DX =    0.0                 !
 ! R41   R(18,58)                1.131          -DE/DX =    0.0                 !
 ! R42   R(19,24)                1.526          -DE/DX =    0.0                 !
 ! R43   R(19,59)                1.1191         -DE/DX =    0.0                 !
 ! R44   R(19,60)                1.1236         -DE/DX =    0.0                 !
 ! R45   R(20,26)                1.4866         -DE/DX =    0.0                 !
 ! R46   R(20,61)                1.1229         -DE/DX =    0.0                 !
 ! R47   R(20,62)                1.1235         -DE/DX =    0.0                 !
 ! R48   R(22,63)                1.1166         -DE/DX =    0.0                 !
 ! R49   R(22,64)                1.1168         -DE/DX =    0.0                 !
 ! R50   R(22,65)                1.1172         -DE/DX =    0.0                 !
 ! R51   R(23,66)                1.1168         -DE/DX =    0.0                 !
 ! R52   R(23,67)                1.116          -DE/DX =    0.0                 !
 ! R53   R(23,68)                1.1175         -DE/DX =    0.0                 !
 ! R54   R(24,69)                1.1268         -DE/DX =    0.0                 !
 ! R55   R(24,70)                1.1294         -DE/DX =    0.0                 !
 ! R56   R(25,28)                1.4003         -DE/DX =    0.0                 !
 ! R57   R(25,29)                1.4004         -DE/DX =    0.0                 !
 ! R58   R(26,30)                1.4005         -DE/DX =    0.0                 !
 ! R59   R(26,31)                1.3995         -DE/DX =    0.0                 !
 ! R60   R(27,32)                1.5286         -DE/DX =    0.0                 !
 ! R61   R(28,33)                1.3935         -DE/DX =    0.0                 !
 ! R62   R(28,74)                1.1001         -DE/DX =    0.0                 !
 ! R63   R(29,34)                1.3945         -DE/DX =    0.0                 !
 ! R64   R(29,75)                1.1032         -DE/DX =    0.0                 !
 ! R65   R(30,36)                1.3933         -DE/DX =    0.0                 !
 ! R66   R(30,76)                1.1002         -DE/DX =    0.0                 !
 ! R67   R(31,37)                1.3942         -DE/DX =    0.0                 !
 ! R68   R(31,77)                1.1003         -DE/DX =    0.0                 !
 ! R69   R(32,78)                1.1237         -DE/DX =    0.0                 !
 ! R70   R(32,79)                1.1202         -DE/DX =    0.0                 !
 ! R71   R(33,35)                1.3948         -DE/DX =    0.0                 !
 ! R72   R(33,80)                1.0998         -DE/DX =    0.0                 !
 ! R73   R(34,35)                1.3945         -DE/DX =    0.0                 !
 ! R74   R(34,81)                1.1002         -DE/DX =    0.0                 !
 ! R75   R(35,82)                1.0996         -DE/DX =    0.0                 !
 ! R76   R(36,38)                1.3951         -DE/DX =    0.0                 !
 ! R77   R(36,83)                1.0999         -DE/DX =    0.0                 !
 ! R78   R(37,38)                1.3943         -DE/DX =    0.0                 !
 ! R79   R(37,84)                1.0998         -DE/DX =    0.0                 !
 ! R80   R(38,85)                1.0995         -DE/DX =    0.0                 !
 ! R81   R(39,40)                1.4083         -DE/DX =    0.0                 !
 ! R82   R(39,41)                1.4068         -DE/DX =    0.0                 !
 ! R83   R(40,42)                1.3985         -DE/DX =    0.0                 !
 ! R84   R(40,44)                1.4805         -DE/DX =    0.0                 !
 ! R85   R(41,43)                1.3993         -DE/DX =    0.0                 !
 ! R86   R(41,45)                1.4806         -DE/DX =    0.0                 !
 ! R87   R(42,46)                1.3929         -DE/DX =    0.0                 !
 ! R88   R(42,86)                1.1006         -DE/DX =    0.0                 !
 ! R89   R(43,46)                1.3924         -DE/DX =    0.0                 !
 ! R90   R(43,87)                1.1006         -DE/DX =    0.0                 !
 ! R91   R(44,88)                1.1178         -DE/DX =    0.0                 !
 ! R92   R(44,89)                1.1203         -DE/DX =    0.0                 !
 ! R93   R(44,90)                1.1199         -DE/DX =    0.0                 !
 ! R94   R(45,91)                1.1177         -DE/DX =    0.0                 !
 ! R95   R(45,92)                1.1191         -DE/DX =    0.0                 !
 ! R96   R(45,93)                1.1195         -DE/DX =    0.0                 !
 ! R97   R(46,94)                1.1002         -DE/DX =    0.0                 !
 ! A1    A(13,1,73)            108.2014         -DE/DX =    0.0                 !
 ! A2    A(32,5,39)            114.3736         -DE/DX =    0.0                 !
 ! A3    A(11,6,18)            117.8771         -DE/DX =    0.0                 !
 ! A4    A(11,6,21)            117.4294         -DE/DX =    0.0                 !
 ! A5    A(18,6,21)            119.7454         -DE/DX =    0.0                 !
 ! A6    A(10,7,17)            125.0737         -DE/DX =    0.0                 !
 ! A7    A(10,7,54)            116.6623         -DE/DX =    0.0                 !
 ! A8    A(17,7,54)            118.259          -DE/DX =    0.0                 !
 ! A9    A(15,8,27)            122.4435         -DE/DX =    0.0                 !
 ! A10   A(15,8,71)            115.9922         -DE/DX =    0.0                 !
 ! A11   A(27,8,71)            118.1416         -DE/DX =    0.0                 !
 ! A12   A(21,9,24)            120.776          -DE/DX =    0.0                 !
 ! A13   A(21,9,72)            115.3845         -DE/DX =    0.0                 !
 ! A14   A(24,9,72)            118.3772         -DE/DX =    0.0                 !
 ! A15   A(7,10,12)            114.9429         -DE/DX =    0.0                 !
 ! A16   A(7,10,16)            111.4347         -DE/DX =    0.0                 !
 ! A17   A(7,10,47)            107.3461         -DE/DX =    0.0                 !
 ! A18   A(12,10,16)           109.4614         -DE/DX =    0.0                 !
 ! A19   A(12,10,47)           105.8686         -DE/DX =    0.0                 !
 ! A20   A(16,10,47)           107.3476         -DE/DX =    0.0                 !
 ! A21   A(6,11,14)            114.1839         -DE/DX =    0.0                 !
 ! A22   A(6,11,17)            110.3398         -DE/DX =    0.0                 !
 ! A23   A(6,11,48)            107.0771         -DE/DX =    0.0                 !
 ! A24   A(14,11,17)           109.3025         -DE/DX =    0.0                 !
 ! A25   A(14,11,48)           106.9663         -DE/DX =    0.0                 !
 ! A26   A(17,11,48)           108.7766         -DE/DX =    0.0                 !
 ! A27   A(10,12,13)           114.6096         -DE/DX =    0.0                 !
 ! A28   A(10,12,49)           107.9483         -DE/DX =    0.0                 !
 ! A29   A(10,12,50)           107.6014         -DE/DX =    0.0                 !
 ! A30   A(13,12,49)           109.2653         -DE/DX =    0.0                 !
 ! A31   A(13,12,50)           109.2976         -DE/DX =    0.0                 !
 ! A32   A(49,12,50)           107.9107         -DE/DX =    0.0                 !
 ! A33   A(1,13,12)            113.0333         -DE/DX =    0.0                 !
 ! A34   A(1,13,15)            109.5328         -DE/DX =    0.0                 !
 ! A35   A(1,13,51)            104.2124         -DE/DX =    0.0                 !
 ! A36   A(12,13,15)           111.0122         -DE/DX =    0.0                 !
 ! A37   A(12,13,51)           110.0787         -DE/DX =    0.0                 !
 ! A38   A(15,13,51)           108.6914         -DE/DX =    0.0                 !
 ! A39   A(11,14,22)           109.1661         -DE/DX =    0.0                 !
 ! A40   A(11,14,23)           111.3156         -DE/DX =    0.0                 !
 ! A41   A(11,14,52)           108.5497         -DE/DX =    0.0                 !
 ! A42   A(22,14,23)           109.5954         -DE/DX =    0.0                 !
 ! A43   A(22,14,52)           108.5901         -DE/DX =    0.0                 !
 ! A44   A(23,14,52)           109.573          -DE/DX =    0.0                 !
 ! A45   A(8,15,13)            111.2421         -DE/DX =    0.0                 !
 ! A46   A(8,15,20)            111.7584         -DE/DX =    0.0                 !
 ! A47   A(8,15,53)            107.8937         -DE/DX =    0.0                 !
 ! A48   A(13,15,20)           109.4939         -DE/DX =    0.0                 !
 ! A49   A(13,15,53)           107.8309         -DE/DX =    0.0                 !
 ! A50   A(20,15,53)           108.4912         -DE/DX =    0.0                 !
 ! A51   A(10,16,25)           112.2943         -DE/DX =    0.0                 !
 ! A52   A(10,16,55)           109.9518         -DE/DX =    0.0                 !
 ! A53   A(10,16,56)           107.559          -DE/DX =    0.0                 !
 ! A54   A(25,16,55)           109.8705         -DE/DX =    0.0                 !
 ! A55   A(25,16,56)           109.5936         -DE/DX =    0.0                 !
 ! A56   A(55,16,56)           107.4272         -DE/DX =    0.0                 !
 ! A57   A(2,17,7)             123.1751         -DE/DX =    0.0                 !
 ! A58   A(2,17,11)            121.538          -DE/DX =    0.0                 !
 ! A59   A(7,17,11)            115.2505         -DE/DX =    0.0                 !
 ! A60   A(6,18,19)            114.636          -DE/DX =    0.0                 !
 ! A61   A(6,18,57)            107.3142         -DE/DX =    0.0                 !
 ! A62   A(6,18,58)            108.9977         -DE/DX =    0.0                 !
 ! A63   A(19,18,57)           109.2307         -DE/DX =    0.0                 !
 ! A64   A(19,18,58)           108.3396         -DE/DX =    0.0                 !
 ! A65   A(57,18,58)           108.1502         -DE/DX =    0.0                 !
 ! A66   A(18,19,24)           111.1073         -DE/DX =    0.0                 !
 ! A67   A(18,19,59)           108.8636         -DE/DX =    0.0                 !
 ! A68   A(18,19,60)           109.5224         -DE/DX =    0.0                 !
 ! A69   A(24,19,59)           109.1707         -DE/DX =    0.0                 !
 ! A70   A(24,19,60)           110.1642         -DE/DX =    0.0                 !
 ! A71   A(59,19,60)           107.9443         -DE/DX =    0.0                 !
 ! A72   A(15,20,26)           112.8309         -DE/DX =    0.0                 !
 ! A73   A(15,20,61)           109.3605         -DE/DX =    0.0                 !
 ! A74   A(15,20,62)           107.5813         -DE/DX =    0.0                 !
 ! A75   A(26,20,61)           110.2426         -DE/DX =    0.0                 !
 ! A76   A(26,20,62)           109.1428         -DE/DX =    0.0                 !
 ! A77   A(61,20,62)           107.5094         -DE/DX =    0.0                 !
 ! A78   A(3,21,6)             121.2666         -DE/DX =    0.0                 !
 ! A79   A(3,21,9)             119.217          -DE/DX =    0.0                 !
 ! A80   A(6,21,9)             119.3636         -DE/DX =    0.0                 !
 ! A81   A(14,22,63)           110.779          -DE/DX =    0.0                 !
 ! A82   A(14,22,64)           109.6705         -DE/DX =    0.0                 !
 ! A83   A(14,22,65)           110.5868         -DE/DX =    0.0                 !
 ! A84   A(63,22,64)           108.4375         -DE/DX =    0.0                 !
 ! A85   A(63,22,65)           108.9191         -DE/DX =    0.0                 !
 ! A86   A(64,22,65)           108.3849         -DE/DX =    0.0                 !
 ! A87   A(14,23,66)           110.5944         -DE/DX =    0.0                 !
 ! A88   A(14,23,67)           111.3201         -DE/DX =    0.0                 !
 ! A89   A(14,23,68)           109.7715         -DE/DX =    0.0                 !
 ! A90   A(66,23,67)           108.4303         -DE/DX =    0.0                 !
 ! A91   A(66,23,68)           108.4706         -DE/DX =    0.0                 !
 ! A92   A(67,23,68)           108.1714         -DE/DX =    0.0                 !
 ! A93   A(9,24,19)            113.1246         -DE/DX =    0.0                 !
 ! A94   A(9,24,69)            109.4265         -DE/DX =    0.0                 !
 ! A95   A(9,24,70)            107.9718         -DE/DX =    0.0                 !
 ! A96   A(19,24,69)           109.3821         -DE/DX =    0.0                 !
 ! A97   A(19,24,70)           109.0314         -DE/DX =    0.0                 !
 ! A98   A(69,24,70)           107.7571         -DE/DX =    0.0                 !
 ! A99   A(16,25,28)           119.9894         -DE/DX =    0.0                 !
 ! A100  A(16,25,29)           120.6798         -DE/DX =    0.0                 !
 ! A101  A(28,25,29)           119.3274         -DE/DX =    0.0                 !
 ! A102  A(20,26,30)           120.2359         -DE/DX =    0.0                 !
 ! A103  A(20,26,31)           120.4957         -DE/DX =    0.0                 !
 ! A104  A(30,26,31)           119.2635         -DE/DX =    0.0                 !
 ! A105  A(4,27,8)             122.635          -DE/DX =    0.0                 !
 ! A106  A(4,27,32)            118.4504         -DE/DX =    0.0                 !
 ! A107  A(8,27,32)            118.8096         -DE/DX =    0.0                 !
 ! A108  A(25,28,33)           120.3557         -DE/DX =    0.0                 !
 ! A109  A(25,28,74)           119.7445         -DE/DX =    0.0                 !
 ! A110  A(33,28,74)           119.8997         -DE/DX =    0.0                 !
 ! A111  A(25,29,34)           120.1602         -DE/DX =    0.0                 !
 ! A112  A(25,29,75)           120.361          -DE/DX =    0.0                 !
 ! A113  A(34,29,75)           119.478          -DE/DX =    0.0                 !
 ! A114  A(26,30,36)           120.3239         -DE/DX =    0.0                 !
 ! A115  A(26,30,76)           119.6764         -DE/DX =    0.0                 !
 ! A116  A(36,30,76)           119.9987         -DE/DX =    0.0                 !
 ! A117  A(26,31,37)           120.3164         -DE/DX =    0.0                 !
 ! A118  A(26,31,77)           119.8261         -DE/DX =    0.0                 !
 ! A119  A(37,31,77)           119.8572         -DE/DX =    0.0                 !
 ! A120  A(5,32,27)            110.7248         -DE/DX =    0.0                 !
 ! A121  A(5,32,78)            107.2598         -DE/DX =    0.0                 !
 ! A122  A(5,32,79)            112.1131         -DE/DX =    0.0                 !
 ! A123  A(27,32,78)           107.96           -DE/DX =    0.0                 !
 ! A124  A(27,32,79)           108.5557         -DE/DX =    0.0                 !
 ! A125  A(78,32,79)           110.1464         -DE/DX =    0.0                 !
 ! A126  A(28,33,35)           120.0901         -DE/DX =    0.0                 !
 ! A127  A(28,33,80)           119.8749         -DE/DX =    0.0                 !
 ! A128  A(35,33,80)           120.0349         -DE/DX =    0.0                 !
 ! A129  A(29,34,35)           120.2452         -DE/DX =    0.0                 !
 ! A130  A(29,34,81)           119.6547         -DE/DX =    0.0                 !
 ! A131  A(35,34,81)           120.1            -DE/DX =    0.0                 !
 ! A132  A(33,35,34)           119.8214         -DE/DX =    0.0                 !
 ! A133  A(33,35,82)           120.0727         -DE/DX =    0.0                 !
 ! A134  A(34,35,82)           120.1059         -DE/DX =    0.0                 !
 ! A135  A(30,36,38)           120.1345         -DE/DX =    0.0                 !
 ! A136  A(30,36,83)           119.8563         -DE/DX =    0.0                 !
 ! A137  A(38,36,83)           120.0091         -DE/DX =    0.0                 !
 ! A138  A(31,37,38)           120.1427         -DE/DX =    0.0                 !
 ! A139  A(31,37,84)           119.8499         -DE/DX =    0.0                 !
 ! A140  A(38,37,84)           120.0074         -DE/DX =    0.0                 !
 ! A141  A(36,38,37)           119.8188         -DE/DX =    0.0                 !
 ! A142  A(36,38,85)           120.0741         -DE/DX =    0.0                 !
 ! A143  A(37,38,85)           120.1071         -DE/DX =    0.0                 !
 ! A144  A(5,39,40)            117.3012         -DE/DX =    0.0                 !
 ! A145  A(5,39,41)            121.1117         -DE/DX =    0.0                 !
 ! A146  A(40,39,41)           121.3456         -DE/DX =    0.0                 !
 ! A147  A(39,40,42)           118.5148         -DE/DX =    0.0                 !
 ! A148  A(39,40,44)           121.1868         -DE/DX =    0.0                 !
 ! A149  A(42,40,44)           120.297          -DE/DX =    0.0                 !
 ! A150  A(39,41,43)           118.5277         -DE/DX =    0.0                 !
 ! A151  A(39,41,45)           121.4634         -DE/DX =    0.0                 !
 ! A152  A(43,41,45)           120.0069         -DE/DX =    0.0                 !
 ! A153  A(40,42,46)           120.6778         -DE/DX =    0.0                 !
 ! A154  A(40,42,86)           119.4204         -DE/DX =    0.0                 !
 ! A155  A(46,42,86)           119.9017         -DE/DX =    0.0                 !
 ! A156  A(41,43,46)           120.6743         -DE/DX =    0.0                 !
 ! A157  A(41,43,87)           119.4099         -DE/DX =    0.0                 !
 ! A158  A(46,43,87)           119.9145         -DE/DX =    0.0                 !
 ! A159  A(40,44,88)           111.0556         -DE/DX =    0.0                 !
 ! A160  A(40,44,89)           110.0386         -DE/DX =    0.0                 !
 ! A161  A(40,44,90)           110.5301         -DE/DX =    0.0                 !
 ! A162  A(88,44,89)           108.1879         -DE/DX =    0.0                 !
 ! A163  A(88,44,90)           108.4305         -DE/DX =    0.0                 !
 ! A164  A(89,44,90)           108.5206         -DE/DX =    0.0                 !
 ! A165  A(41,45,91)           111.0239         -DE/DX =    0.0                 !
 ! A166  A(41,45,92)           110.3678         -DE/DX =    0.0                 !
 ! A167  A(41,45,93)           110.2832         -DE/DX =    0.0                 !
 ! A168  A(91,45,92)           108.5071         -DE/DX =    0.0                 !
 ! A169  A(91,45,93)           108.2468         -DE/DX =    0.0                 !
 ! A170  A(92,45,93)           108.3322         -DE/DX =    0.0                 !
 ! A171  A(42,46,43)           120.2468         -DE/DX =    0.0                 !
 ! A172  A(42,46,94)           119.8704         -DE/DX =    0.0                 !
 ! A173  A(43,46,94)           119.8821         -DE/DX =    0.0                 !
 ! D1    D(73,1,13,12)          34.5436         -DE/DX =    0.0                 !
 ! D2    D(73,1,13,15)         -89.8068         -DE/DX =    0.0                 !
 ! D3    D(73,1,13,51)         154.0492         -DE/DX =    0.0                 !
 ! D4    D(39,5,32,27)         137.7578         -DE/DX =    0.0                 !
 ! D5    D(39,5,32,78)        -104.6749         -DE/DX =    0.0                 !
 ! D6    D(39,5,32,79)          16.3586         -DE/DX =    0.0                 !
 ! D7    D(32,5,39,40)        -121.4875         -DE/DX =    0.0                 !
 ! D8    D(32,5,39,41)          64.0845         -DE/DX =    0.0                 !
 ! D9    D(18,6,11,14)          52.978          -DE/DX =    0.0                 !
 ! D10   D(18,6,11,17)         -70.5901         -DE/DX =    0.0                 !
 ! D11   D(18,6,11,48)         171.1809         -DE/DX =    0.0                 !
 ! D12   D(21,6,11,14)        -151.9406         -DE/DX =    0.0                 !
 ! D13   D(21,6,11,17)          84.4913         -DE/DX =    0.0                 !
 ! D14   D(21,6,11,48)         -33.7377         -DE/DX =    0.0                 !
 ! D15   D(11,6,18,19)         148.3344         -DE/DX =    0.0                 !
 ! D16   D(11,6,18,57)         -90.1644         -DE/DX =    0.0                 !
 ! D17   D(11,6,18,58)          26.7344         -DE/DX =    0.0                 !
 ! D18   D(21,6,18,19)          -6.1526         -DE/DX =    0.0                 !
 ! D19   D(21,6,18,57)         115.3486         -DE/DX =    0.0                 !
 ! D20   D(21,6,18,58)        -127.7526         -DE/DX =    0.0                 !
 ! D21   D(11,6,21,3)            4.8224         -DE/DX =    0.0                 !
 ! D22   D(11,6,21,9)         -179.7065         -DE/DX =    0.0                 !
 ! D23   D(18,6,21,3)          159.421          -DE/DX =    0.0                 !
 ! D24   D(18,6,21,9)          -25.1079         -DE/DX =    0.0                 !
 ! D25   D(17,7,10,12)         -49.0386         -DE/DX =    0.0                 !
 ! D26   D(17,7,10,16)        -174.3023         -DE/DX =    0.0                 !
 ! D27   D(17,7,10,47)          68.4259         -DE/DX =    0.0                 !
 ! D28   D(54,7,10,12)         131.7999         -DE/DX =    0.0                 !
 ! D29   D(54,7,10,16)           6.5362         -DE/DX =    0.0                 !
 ! D30   D(54,7,10,47)        -110.7356         -DE/DX =    0.0                 !
 ! D31   D(10,7,17,2)            5.2074         -DE/DX =    0.0                 !
 ! D32   D(10,7,17,11)        -176.9604         -DE/DX =    0.0                 !
 ! D33   D(54,7,17,2)         -175.6433         -DE/DX =    0.0                 !
 ! D34   D(54,7,17,11)           2.1889         -DE/DX =    0.0                 !
 ! D35   D(27,8,15,13)        -101.5564         -DE/DX =    0.0                 !
 ! D36   D(27,8,15,20)         135.7159         -DE/DX =    0.0                 !
 ! D37   D(27,8,15,53)          16.5256         -DE/DX =    0.0                 !
 ! D38   D(71,8,15,13)          57.1464         -DE/DX =    0.0                 !
 ! D39   D(71,8,15,20)         -65.5812         -DE/DX =    0.0                 !
 ! D40   D(71,8,15,53)         175.2284         -DE/DX =    0.0                 !
 ! D41   D(15,8,27,4)           -9.0453         -DE/DX =    0.0                 !
 ! D42   D(15,8,27,32)         174.7403         -DE/DX =    0.0                 !
 ! D43   D(71,8,27,4)         -167.3151         -DE/DX =    0.0                 !
 ! D44   D(71,8,27,32)          16.4704         -DE/DX =    0.0                 !
 ! D45   D(24,9,21,3)         -166.3874         -DE/DX =    0.0                 !
 ! D46   D(24,9,21,6)           18.0479         -DE/DX =    0.0                 !
 ! D47   D(72,9,21,3)          -12.8941         -DE/DX =    0.0                 !
 ! D48   D(72,9,21,6)          171.5412         -DE/DX =    0.0                 !
 ! D49   D(21,9,24,19)          19.2995         -DE/DX =    0.0                 !
 ! D50   D(21,9,24,69)         141.525          -DE/DX =    0.0                 !
 ! D51   D(21,9,24,70)        -101.45           -DE/DX =    0.0                 !
 ! D52   D(72,9,24,19)        -133.4243         -DE/DX =    0.0                 !
 ! D53   D(72,9,24,69)         -11.1988         -DE/DX =    0.0                 !
 ! D54   D(72,9,24,70)         105.8262         -DE/DX =    0.0                 !
 ! D55   D(7,10,12,13)         -51.5758         -DE/DX =    0.0                 !
 ! D56   D(7,10,12,49)          70.4188         -DE/DX =    0.0                 !
 ! D57   D(7,10,12,50)        -173.3556         -DE/DX =    0.0                 !
 ! D58   D(16,10,12,13)         74.709          -DE/DX =    0.0                 !
 ! D59   D(16,10,12,49)       -163.2963         -DE/DX =    0.0                 !
 ! D60   D(16,10,12,50)        -47.0707         -DE/DX =    0.0                 !
 ! D61   D(47,10,12,13)       -169.8733         -DE/DX =    0.0                 !
 ! D62   D(47,10,12,49)        -47.8787         -DE/DX =    0.0                 !
 ! D63   D(47,10,12,50)         68.3469         -DE/DX =    0.0                 !
 ! D64   D(7,10,16,25)         -61.7979         -DE/DX =    0.0                 !
 ! D65   D(7,10,16,55)          60.8623         -DE/DX =    0.0                 !
 ! D66   D(7,10,16,56)         177.5455         -DE/DX =    0.0                 !
 ! D67   D(12,10,16,25)        169.9422         -DE/DX =    0.0                 !
 ! D68   D(12,10,16,55)        -67.3977         -DE/DX =    0.0                 !
 ! D69   D(12,10,16,56)         49.2855         -DE/DX =    0.0                 !
 ! D70   D(47,10,16,25)         55.473          -DE/DX =    0.0                 !
 ! D71   D(47,10,16,55)        178.1331         -DE/DX =    0.0                 !
 ! D72   D(47,10,16,56)        -65.1837         -DE/DX =    0.0                 !
 ! D73   D(6,11,14,22)         174.6214         -DE/DX =    0.0                 !
 ! D74   D(6,11,14,23)          53.5069         -DE/DX =    0.0                 !
 ! D75   D(6,11,14,52)         -67.1735         -DE/DX =    0.0                 !
 ! D76   D(17,11,14,22)        -61.253          -DE/DX =    0.0                 !
 ! D77   D(17,11,14,23)        177.6325         -DE/DX =    0.0                 !
 ! D78   D(17,11,14,52)         56.9521         -DE/DX =    0.0                 !
 ! D79   D(48,11,14,22)         56.3553         -DE/DX =    0.0                 !
 ! D80   D(48,11,14,23)        -64.7592         -DE/DX =    0.0                 !
 ! D81   D(48,11,14,52)        174.5604         -DE/DX =    0.0                 !
 ! D82   D(6,11,17,2)           98.1214         -DE/DX =    0.0                 !
 ! D83   D(6,11,17,7)          -79.7497         -DE/DX =    0.0                 !
 ! D84   D(14,11,17,2)         -28.2323         -DE/DX =    0.0                 !
 ! D85   D(14,11,17,7)         153.8966         -DE/DX =    0.0                 !
 ! D86   D(48,11,17,2)        -144.6967         -DE/DX =    0.0                 !
 ! D87   D(48,11,17,7)          37.4322         -DE/DX =    0.0                 !
 ! D88   D(10,12,13,1)          80.5372         -DE/DX =    0.0                 !
 ! D89   D(10,12,13,15)       -155.9242         -DE/DX =    0.0                 !
 ! D90   D(10,12,13,51)        -35.5321         -DE/DX =    0.0                 !
 ! D91   D(49,12,13,1)         -40.7377         -DE/DX =    0.0                 !
 ! D92   D(49,12,13,15)         82.8009         -DE/DX =    0.0                 !
 ! D93   D(49,12,13,51)       -156.8069         -DE/DX =    0.0                 !
 ! D94   D(50,12,13,1)        -158.6132         -DE/DX =    0.0                 !
 ! D95   D(50,12,13,15)        -35.0747         -DE/DX =    0.0                 !
 ! D96   D(50,12,13,51)         85.3175         -DE/DX =    0.0                 !
 ! D97   D(1,13,15,8)          -61.3046         -DE/DX =    0.0                 !
 ! D98   D(1,13,15,20)          62.717          -DE/DX =    0.0                 !
 ! D99   D(1,13,15,53)        -179.4245         -DE/DX =    0.0                 !
 ! D100  D(12,13,15,8)         173.1746         -DE/DX =    0.0                 !
 ! D101  D(12,13,15,20)        -62.8038         -DE/DX =    0.0                 !
 ! D102  D(12,13,15,53)         55.0547         -DE/DX =    0.0                 !
 ! D103  D(51,13,15,8)          51.9636         -DE/DX =    0.0                 !
 ! D104  D(51,13,15,20)        175.9852         -DE/DX =    0.0                 !
 ! D105  D(51,13,15,53)        -66.1563         -DE/DX =    0.0                 !
 ! D106  D(11,14,22,63)        -60.9118         -DE/DX =    0.0                 !
 ! D107  D(11,14,22,64)        179.4266         -DE/DX =    0.0                 !
 ! D108  D(11,14,22,65)         59.9501         -DE/DX =    0.0                 !
 ! D109  D(23,14,22,63)         61.2442         -DE/DX =    0.0                 !
 ! D110  D(23,14,22,64)        -58.4174         -DE/DX =    0.0                 !
 ! D111  D(23,14,22,65)       -177.8938         -DE/DX =    0.0                 !
 ! D112  D(52,14,22,63)       -179.0916         -DE/DX =    0.0                 !
 ! D113  D(52,14,22,64)         61.2468         -DE/DX =    0.0                 !
 ! D114  D(52,14,22,65)        -58.2297         -DE/DX =    0.0                 !
 ! D115  D(11,14,23,66)         52.0701         -DE/DX =    0.0                 !
 ! D116  D(11,14,23,67)        -68.5404         -DE/DX =    0.0                 !
 ! D117  D(11,14,23,68)        171.7215         -DE/DX =    0.0                 !
 ! D118  D(22,14,23,66)        -68.7929         -DE/DX =    0.0                 !
 ! D119  D(22,14,23,67)        170.5965         -DE/DX =    0.0                 !
 ! D120  D(22,14,23,68)         50.8584         -DE/DX =    0.0                 !
 ! D121  D(52,14,23,66)        172.1473         -DE/DX =    0.0                 !
 ! D122  D(52,14,23,67)         51.5367         -DE/DX =    0.0                 !
 ! D123  D(52,14,23,68)        -68.2014         -DE/DX =    0.0                 !
 ! D124  D(8,15,20,26)         -59.2843         -DE/DX =    0.0                 !
 ! D125  D(8,15,20,61)          63.7977         -DE/DX =    0.0                 !
 ! D126  D(8,15,20,62)        -179.7239         -DE/DX =    0.0                 !
 ! D127  D(13,15,20,26)        176.997          -DE/DX =    0.0                 !
 ! D128  D(13,15,20,61)        -59.9209         -DE/DX =    0.0                 !
 ! D129  D(13,15,20,62)         56.5574         -DE/DX =    0.0                 !
 ! D130  D(53,15,20,26)         59.5519         -DE/DX =    0.0                 !
 ! D131  D(53,15,20,61)       -177.366          -DE/DX =    0.0                 !
 ! D132  D(53,15,20,62)        -60.8877         -DE/DX =    0.0                 !
 ! D133  D(10,16,25,28)        -88.9341         -DE/DX =    0.0                 !
 ! D134  D(10,16,25,29)         91.7434         -DE/DX =    0.0                 !
 ! D135  D(55,16,25,28)        148.3599         -DE/DX =    0.0                 !
 ! D136  D(55,16,25,29)        -30.9626         -DE/DX =    0.0                 !
 ! D137  D(56,16,25,28)         30.5413         -DE/DX =    0.0                 !
 ! D138  D(56,16,25,29)       -148.7813         -DE/DX =    0.0                 !
 ! D139  D(6,18,19,24)          41.4274         -DE/DX =    0.0                 !
 ! D140  D(6,18,19,59)         161.6835         -DE/DX =    0.0                 !
 ! D141  D(6,18,19,60)         -80.5041         -DE/DX =    0.0                 !
 ! D142  D(57,18,19,24)        -79.0195         -DE/DX =    0.0                 !
 ! D143  D(57,18,19,59)         41.2366         -DE/DX =    0.0                 !
 ! D144  D(57,18,19,60)        159.049          -DE/DX =    0.0                 !
 ! D145  D(58,18,19,24)        163.3863         -DE/DX =    0.0                 !
 ! D146  D(58,18,19,59)        -76.3576         -DE/DX =    0.0                 !
 ! D147  D(58,18,19,60)         41.4548         -DE/DX =    0.0                 !
 ! D148  D(18,19,24,9)         -47.8134         -DE/DX =    0.0                 !
 ! D149  D(18,19,24,69)       -170.0637         -DE/DX =    0.0                 !
 ! D150  D(18,19,24,70)         72.3328         -DE/DX =    0.0                 !
 ! D151  D(59,19,24,9)        -167.8874         -DE/DX =    0.0                 !
 ! D152  D(59,19,24,69)         69.8623         -DE/DX =    0.0                 !
 ! D153  D(59,19,24,70)        -47.7412         -DE/DX =    0.0                 !
 ! D154  D(60,19,24,9)          73.7437         -DE/DX =    0.0                 !
 ! D155  D(60,19,24,69)        -48.5066         -DE/DX =    0.0                 !
 ! D156  D(60,19,24,70)       -166.1101         -DE/DX =    0.0                 !
 ! D157  D(15,20,26,30)        -72.9639         -DE/DX =    0.0                 !
 ! D158  D(15,20,26,31)        107.8484         -DE/DX =    0.0                 !
 ! D159  D(61,20,26,30)        164.4462         -DE/DX =    0.0                 !
 ! D160  D(61,20,26,31)        -14.7415         -DE/DX =    0.0                 !
 ! D161  D(62,20,26,30)         46.5776         -DE/DX =    0.0                 !
 ! D162  D(62,20,26,31)       -132.6101         -DE/DX =    0.0                 !
 ! D163  D(16,25,28,33)       -179.3208         -DE/DX =    0.0                 !
 ! D164  D(16,25,28,74)          0.5952         -DE/DX =    0.0                 !
 ! D165  D(29,25,28,33)          0.0109         -DE/DX =    0.0                 !
 ! D166  D(29,25,28,74)        179.927          -DE/DX =    0.0                 !
 ! D167  D(16,25,29,34)        179.3662         -DE/DX =    0.0                 !
 ! D168  D(16,25,29,75)         -0.9648         -DE/DX =    0.0                 !
 ! D169  D(28,25,29,34)          0.0392         -DE/DX =    0.0                 !
 ! D170  D(28,25,29,75)        179.7082         -DE/DX =    0.0                 !
 ! D171  D(20,26,30,36)       -179.1214         -DE/DX =    0.0                 !
 ! D172  D(20,26,30,76)          1.2491         -DE/DX =    0.0                 !
 ! D173  D(31,26,30,36)          0.0762         -DE/DX =    0.0                 !
 ! D174  D(31,26,30,76)       -179.5533         -DE/DX =    0.0                 !
 ! D175  D(20,26,31,37)        179.0345         -DE/DX =    0.0                 !
 ! D176  D(20,26,31,77)         -1.1591         -DE/DX =    0.0                 !
 ! D177  D(30,26,31,37)         -0.161          -DE/DX =    0.0                 !
 ! D178  D(30,26,31,77)        179.6454         -DE/DX =    0.0                 !
 ! D179  D(4,27,32,5)          153.9529         -DE/DX =    0.0                 !
 ! D180  D(4,27,32,78)          36.8153         -DE/DX =    0.0                 !
 ! D181  D(4,27,32,79)         -82.5731         -DE/DX =    0.0                 !
 ! D182  D(8,27,32,5)          -29.6727         -DE/DX =    0.0                 !
 ! D183  D(8,27,32,78)        -146.8103         -DE/DX =    0.0                 !
 ! D184  D(8,27,32,79)          93.8014         -DE/DX =    0.0                 !
 ! D185  D(25,28,33,35)         -0.0172         -DE/DX =    0.0                 !
 ! D186  D(25,28,33,80)        179.9448         -DE/DX =    0.0                 !
 ! D187  D(74,28,33,35)       -179.9331         -DE/DX =    0.0                 !
 ! D188  D(74,28,33,80)          0.0289         -DE/DX =    0.0                 !
 ! D189  D(25,29,34,35)         -0.0833         -DE/DX =    0.0                 !
 ! D190  D(25,29,34,81)        179.79           -DE/DX =    0.0                 !
 ! D191  D(75,29,34,35)       -179.7553         -DE/DX =    0.0                 !
 ! D192  D(75,29,34,81)          0.118          -DE/DX =    0.0                 !
 ! D193  D(26,30,36,38)          0.0695         -DE/DX =    0.0                 !
 ! D194  D(26,30,36,83)       -179.8105         -DE/DX =    0.0                 !
 ! D195  D(76,30,36,38)        179.6978         -DE/DX =    0.0                 !
 ! D196  D(76,30,36,83)         -0.1822         -DE/DX =    0.0                 !
 ! D197  D(26,31,37,38)          0.1003         -DE/DX =    0.0                 !
 ! D198  D(26,31,37,84)       -179.9352         -DE/DX =    0.0                 !
 ! D199  D(77,31,37,38)       -179.706          -DE/DX =    0.0                 !
 ! D200  D(77,31,37,84)          0.2585         -DE/DX =    0.0                 !
 ! D201  D(28,33,35,34)         -0.0266         -DE/DX =    0.0                 !
 ! D202  D(28,33,35,82)        179.971          -DE/DX =    0.0                 !
 ! D203  D(80,33,35,34)       -179.9885         -DE/DX =    0.0                 !
 ! D204  D(80,33,35,82)          0.0091         -DE/DX =    0.0                 !
 ! D205  D(29,34,35,33)          0.0768         -DE/DX =    0.0                 !
 ! D206  D(29,34,35,82)       -179.9208         -DE/DX =    0.0                 !
 ! D207  D(81,34,35,33)       -179.7959         -DE/DX =    0.0                 !
 ! D208  D(81,34,35,82)          0.2065         -DE/DX =    0.0                 !
 ! D209  D(30,36,38,37)         -0.1312         -DE/DX =    0.0                 !
 ! D210  D(30,36,38,85)        179.9362         -DE/DX =    0.0                 !
 ! D211  D(83,36,38,37)        179.7486         -DE/DX =    0.0                 !
 ! D212  D(83,36,38,85)         -0.184          -DE/DX =    0.0                 !
 ! D213  D(31,37,38,36)          0.0465         -DE/DX =    0.0                 !
 ! D214  D(31,37,38,85)        179.9791         -DE/DX =    0.0                 !
 ! D215  D(84,37,38,36)       -179.9179         -DE/DX =    0.0                 !
 ! D216  D(84,37,38,85)          0.0147         -DE/DX =    0.0                 !
 ! D217  D(5,39,40,42)        -175.2774         -DE/DX =    0.0                 !
 ! D218  D(5,39,40,44)           4.293          -DE/DX =    0.0                 !
 ! D219  D(41,39,40,42)         -0.8633         -DE/DX =    0.0                 !
 ! D220  D(41,39,40,44)        178.7071         -DE/DX =    0.0                 !
 ! D221  D(5,39,41,43)         175.4936         -DE/DX =    0.0                 !
 ! D222  D(5,39,41,45)          -3.9859         -DE/DX =    0.0                 !
 ! D223  D(40,39,41,43)          1.2918         -DE/DX =    0.0                 !
 ! D224  D(40,39,41,45)       -178.1876         -DE/DX =    0.0                 !
 ! D225  D(39,40,42,46)         -0.1666         -DE/DX =    0.0                 !
 ! D226  D(39,40,42,86)        179.9258         -DE/DX =    0.0                 !
 ! D227  D(44,40,42,46)       -179.7409         -DE/DX =    0.0                 !
 ! D228  D(44,40,42,86)          0.3515         -DE/DX =    0.0                 !
 ! D229  D(39,40,44,88)       -163.687          -DE/DX =    0.0                 !
 ! D230  D(39,40,44,89)         76.5487         -DE/DX =    0.0                 !
 ! D231  D(39,40,44,90)        -43.2948         -DE/DX =    0.0                 !
 ! D232  D(42,40,44,88)         15.8758         -DE/DX =    0.0                 !
 ! D233  D(42,40,44,89)       -103.8885         -DE/DX =    0.0                 !
 ! D234  D(42,40,44,90)        136.268          -DE/DX =    0.0                 !
 ! D235  D(39,41,43,46)         -0.7015         -DE/DX =    0.0                 !
 ! D236  D(39,41,43,87)        179.7019         -DE/DX =    0.0                 !
 ! D237  D(45,41,43,46)        178.7857         -DE/DX =    0.0                 !
 ! D238  D(45,41,43,87)         -0.8109         -DE/DX =    0.0                 !
 ! D239  D(39,41,45,91)        161.8388         -DE/DX =    0.0                 !
 ! D240  D(39,41,45,92)         41.479          -DE/DX =    0.0                 !
 ! D241  D(39,41,45,93)        -78.1836         -DE/DX =    0.0                 !
 ! D242  D(43,41,45,91)        -17.633          -DE/DX =    0.0                 !
 ! D243  D(43,41,45,92)       -137.9928         -DE/DX =    0.0                 !
 ! D244  D(43,41,45,93)        102.3446         -DE/DX =    0.0                 !
 ! D245  D(40,42,46,43)          0.745          -DE/DX =    0.0                 !
 ! D246  D(40,42,46,94)       -179.5464         -DE/DX =    0.0                 !
 ! D247  D(86,42,46,43)       -179.3478         -DE/DX =    0.0                 !
 ! D248  D(86,42,46,94)          0.3608         -DE/DX =    0.0                 !
 ! D249  D(41,43,46,42)         -0.3002         -DE/DX =    0.0                 !
 ! D250  D(41,43,46,94)        179.9912         -DE/DX =    0.0                 !
 ! D251  D(87,43,46,42)        179.2944         -DE/DX =    0.0                 !
 ! D252  D(87,43,46,94)         -0.4142         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C37H48N4O5
 Framework group  C1[X(C37H48N4O5)]
 Deg. of freedom   276
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -0.247674    0.008165   -0.930165
      2          8           0       -2.635112    0.231968   -2.480467
      3          8           0       -3.516347   -2.174742    1.261618
      4          8           0        2.345506    2.298669    2.273757
      5          8           0        3.447106   -0.997016    1.578883
      6          7           0       -2.717660   -2.632474   -0.879641
      7          7           0       -3.205479    0.393207   -0.252860
      8          7           0        2.131674    1.100982    0.318783
      9          7           0       -1.741737   -3.620422    1.108069
     10          6           0       -2.808505    1.765290   -0.038697
     11          6           0       -3.697899   -1.721762   -1.438888
     12          6           0       -1.423162    2.134391   -0.596311
     13          6           0       -0.299220    1.203185   -0.167901
     14          6           0       -4.172797   -2.097821   -2.858835
     15          6           0        1.082037    1.925246   -0.235914
     16          6           0       -2.879760    2.146564    1.455696
     17          6           0       -3.140607   -0.266759   -1.450661
     18          6           0       -1.532942   -2.917388   -1.663487
     19          6           0       -0.277942   -3.197489   -0.840968
     20          6           0        1.380982    2.326804   -1.692700
     21          6           0       -2.674759   -2.758825    0.525862
     22          6           0       -5.284956   -1.154995   -3.278081
     23          6           0       -4.671292   -3.526765   -2.912139
     24          6           0       -0.596578   -4.074764    0.366265
     25          6           0       -4.260341    2.040736    1.999973
     26          6           0        2.651563    3.085815   -1.832688
     27          6           0        2.636273    1.300370    1.582306
     28          6           0       -5.125957    3.139323    1.931173
     29          6           0       -4.704168    0.854074    2.596652
     30          6           0        2.731954    4.413457   -1.394108
     31          6           0        3.774190    2.489606   -2.418258
     32          6           0        3.658887    0.306324    2.132435
     33          6           0       -6.415886    3.053154    2.451228
     34          6           0       -5.996017    0.771113    3.115088
     35          6           0       -6.853084    1.868857    3.044394
     36          6           0        3.916415    5.132366   -1.541045
     37          6           0        4.957839    3.211383   -2.565896
     38          6           0        5.031059    4.533277   -2.128368
     39          6           0        4.614461   -1.662472    1.212408
     40          6           0        4.737305   -2.057592   -0.133751
     41          6           0        5.574226   -2.029333    2.173254
     42          6           0        5.851956   -2.814650   -0.508286
     43          6           0        6.680750   -2.779502    1.759953
     44          6           0        3.710652   -1.693477   -1.136339
     45          6           0        5.427372   -1.648965    3.596654
     46          6           0        6.819940   -3.166246    0.429560
     47          1           0       -3.551319    2.423060   -0.591871
     48          1           0       -4.610025   -1.758248   -0.764008
     49          1           0       -1.491961    2.141104   -1.719103
     50          1           0       -1.188846    3.177730   -0.258944
     51          1           0       -0.470961    0.849657    0.890511
     52          1           0       -3.308947   -1.972848   -3.570319
     53          1           0        1.012207    2.866482    0.388779
     54          1           0       -3.565257   -0.099019    0.540232
     55          1           0       -2.184206    1.496378    2.050522
     56          1           0       -2.516749    3.204545    1.553019
     57          1           0       -1.763845   -3.815484   -2.306916
     58          1           0       -1.322946   -2.039997   -2.345514
     59          1           0        0.469741   -3.720974   -1.488561
     60          1           0        0.175300   -2.225887   -0.504857
     61          1           0        1.405627    1.406102   -2.335054
     62          1           0        0.528843    2.965727   -2.050289
     63          1           0       -6.156489   -1.237436   -2.584958
     64          1           0       -5.627955   -1.413145   -4.309082
     65          1           0       -4.923467   -0.097939   -3.281340
     66          1           0       -5.431577   -3.707589   -2.114378
     67          1           0       -3.835605   -4.253436   -2.774320
     68          1           0       -5.145357   -3.724957   -3.904450
     69          1           0        0.300068   -4.113336    1.047560
     70          1           0       -0.805653   -5.126649    0.012207
     71          1           0        2.247776    0.202984   -0.097397
     72          1           0       -1.672546   -3.567363    2.098244
     73          1           0       -0.512368    0.216806   -1.837985
     74          1           0       -4.784001    4.075302    1.464990
     75          1           0       -4.038100   -0.023406    2.655729
     76          1           0        1.855820    4.886508   -0.926109
     77          1           0        3.723109    1.445198   -2.760783
     78          1           0        3.502296    0.226648    3.242271
     79          1           0        4.686657    0.695004    1.914737
     80          1           0       -7.088817    3.921107    2.393755
     81          1           0       -6.337239   -0.166328    3.578947
     82          1           0       -7.870833    1.801333    3.455093
     83          1           0        3.971966    6.173590   -1.191048
     84          1           0        5.835048    2.735629   -3.028090
     85          1           0        5.964905    5.101831   -2.244776
     86          1           0        5.962275   -3.132502   -1.556182
     87          1           0        7.443042   -3.070219    2.498704
     88          1           0        3.808895   -2.319359   -2.057258
     89          1           0        3.825348   -0.618518   -1.430234
     90          1           0        2.682708   -1.839819   -0.716800
     91          1           0        6.078226   -2.280761    4.249754
     92          1           0        4.365203   -1.774539    3.925772
     93          1           0        5.717372   -0.577733    3.744022
     94          1           0        7.695282   -3.755798    0.118846
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0832286      0.0419919      0.0367854

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --   -1.51760  -1.50712  -1.48802  -1.46478  -1.44247
 Alpha  occ. eigenvalues --   -1.43918  -1.41687  -1.38844  -1.36623  -1.34823
 Alpha  occ. eigenvalues --   -1.32904  -1.30948  -1.27394  -1.27005  -1.22391
 Alpha  occ. eigenvalues --   -1.21796  -1.18284  -1.17944  -1.16753  -1.15385
 Alpha  occ. eigenvalues --   -1.15095  -1.10924  -1.06790  -1.03666  -1.01737
 Alpha  occ. eigenvalues --   -1.01431  -1.01200  -1.00236  -0.95732  -0.94724
 Alpha  occ. eigenvalues --   -0.88898  -0.86458  -0.85466  -0.85276  -0.84022
 Alpha  occ. eigenvalues --   -0.83108  -0.80961  -0.80597  -0.79462  -0.77409
 Alpha  occ. eigenvalues --   -0.77100  -0.75805  -0.71182  -0.69103  -0.67837
 Alpha  occ. eigenvalues --   -0.67471  -0.66659  -0.66123  -0.65557  -0.64368
 Alpha  occ. eigenvalues --   -0.64046  -0.63920  -0.62548  -0.61336  -0.60939
 Alpha  occ. eigenvalues --   -0.60669  -0.60566  -0.60193  -0.59197  -0.58959
 Alpha  occ. eigenvalues --   -0.58328  -0.57677  -0.57573  -0.57105  -0.56472
 Alpha  occ. eigenvalues --   -0.56284  -0.55436  -0.54621  -0.54471  -0.54219
 Alpha  occ. eigenvalues --   -0.53857  -0.53651  -0.53147  -0.52639  -0.52569
 Alpha  occ. eigenvalues --   -0.52043  -0.51969  -0.51755  -0.51608  -0.51088
 Alpha  occ. eigenvalues --   -0.50718  -0.50579  -0.50533  -0.50423  -0.49511
 Alpha  occ. eigenvalues --   -0.49427  -0.48860  -0.48333  -0.47731  -0.47665
 Alpha  occ. eigenvalues --   -0.47346  -0.47297  -0.46770  -0.46373  -0.46128
 Alpha  occ. eigenvalues --   -0.46071  -0.45920  -0.45211  -0.44990  -0.44701
 Alpha  occ. eigenvalues --   -0.44341  -0.44149  -0.43758  -0.43454  -0.43148
 Alpha  occ. eigenvalues --   -0.42940  -0.42644  -0.42356  -0.41810  -0.41787
 Alpha  occ. eigenvalues --   -0.41142  -0.39779  -0.39390  -0.36959  -0.36828
 Alpha  occ. eigenvalues --   -0.35855  -0.35416  -0.35300  -0.35191  -0.34958
 Alpha  occ. eigenvalues --   -0.34797  -0.34425  -0.34251
 Alpha virt. eigenvalues --    0.00243   0.00465   0.01756   0.01816   0.02166
 Alpha virt. eigenvalues --    0.02353   0.04001   0.04871   0.05903   0.06610
 Alpha virt. eigenvalues --    0.07453   0.07654   0.08171   0.09324   0.09857
 Alpha virt. eigenvalues --    0.10574   0.10743   0.12038   0.12245   0.12607
 Alpha virt. eigenvalues --    0.12627   0.12797   0.12863   0.13112   0.13263
 Alpha virt. eigenvalues --    0.13340   0.13399   0.13619   0.13729   0.13767
 Alpha virt. eigenvalues --    0.13856   0.13948   0.14125   0.14285   0.14347
 Alpha virt. eigenvalues --    0.14566   0.14620   0.14674   0.14720   0.14793
 Alpha virt. eigenvalues --    0.14821   0.14979   0.15096   0.15139   0.15176
 Alpha virt. eigenvalues --    0.15332   0.15406   0.15532   0.15567   0.15582
 Alpha virt. eigenvalues --    0.15691   0.15793   0.15831   0.15883   0.15929
 Alpha virt. eigenvalues --    0.15939   0.16066   0.16251   0.16320   0.16429
 Alpha virt. eigenvalues --    0.16462   0.16657   0.16710   0.16728   0.16764
 Alpha virt. eigenvalues --    0.16933   0.16970   0.16972   0.17312   0.17328
 Alpha virt. eigenvalues --    0.17453   0.17535   0.17741   0.17846   0.18057
 Alpha virt. eigenvalues --    0.18166   0.18289   0.18572   0.18951   0.18954
 Alpha virt. eigenvalues --    0.19008   0.19095   0.19103   0.19155   0.19233
 Alpha virt. eigenvalues --    0.19293   0.19576   0.19817   0.19890   0.20085
 Alpha virt. eigenvalues --    0.20341   0.20378   0.20587   0.20721   0.20780
 Alpha virt. eigenvalues --    0.20804   0.20976   0.21163   0.21341   0.22392
 Alpha virt. eigenvalues --    0.22563   0.22754   0.23356   0.23448   0.23492
 Alpha virt. eigenvalues --    0.24032   0.26052   0.26436   0.26693
          Condensed to atoms (all electrons):
 Mulliken atomic charges:
              1
     1  O   -0.351165
     2  O   -0.413944
     3  O   -0.441069
     4  O   -0.377509
     5  O   -0.232446
     6  N   -0.306173
     7  N   -0.364936
     8  N   -0.346058
     9  N   -0.356226
    10  C    0.045080
    11  C    0.019351
    12  C   -0.207787
    13  C    0.013238
    14  C   -0.098564
    15  C   -0.002987
    16  C   -0.136880
    17  C    0.287946
    18  C   -0.027439
    19  C   -0.203224
    20  C   -0.132857
    21  C    0.392148
    22  C   -0.216206
    23  C   -0.206889
    24  C   -0.026077
    25  C   -0.085268
    26  C   -0.064409
    27  C    0.291722
    28  C   -0.125627
    29  C   -0.125781
    30  C   -0.121800
    31  C   -0.124536
    32  C   -0.044225
    33  C   -0.130240
    34  C   -0.123823
    35  C   -0.130186
    36  C   -0.124754
    37  C   -0.129874
    38  C   -0.131220
    39  C    0.042717
    40  C   -0.070398
    41  C   -0.086991
    42  C   -0.124303
    43  C   -0.121052
    44  C   -0.180391
    45  C   -0.183132
    46  C   -0.129501
    47  H    0.092538
    48  H    0.139497
    49  H    0.117298
    50  H    0.096954
    51  H    0.116223
    52  H    0.107245
    53  H    0.131120
    54  H    0.259586
    55  H    0.101067
    56  H    0.100038
    57  H    0.085573
    58  H    0.102998
    59  H    0.101285
    60  H    0.120045
    61  H    0.090836
    62  H    0.098557
    63  H    0.073222
    64  H    0.079004
    65  H    0.093928
    66  H    0.079420
    67  H    0.077845
    68  H    0.074376
    69  H    0.089446
    70  H    0.086366
    71  H    0.237412
    72  H    0.240515
    73  H    0.222090
    74  H    0.128575
    75  H    0.150486
    76  H    0.131164
    77  H    0.126131
    78  H    0.117939
    79  H    0.117572
    80  H    0.130175
    81  H    0.135811
    82  H    0.130532
    83  H    0.131836
    84  H    0.129211
    85  H    0.130372
    86  H    0.135365
    87  H    0.135977
    88  H    0.082109
    89  H    0.089347
    90  H    0.094360
    91  H    0.087567
    92  H    0.094072
    93  H    0.085413
    94  H    0.135247
 Sum of Mulliken atomic charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
              1
     1  O   -0.129075
     2  O   -0.413944
     3  O   -0.441069
     4  O   -0.377509
     5  O   -0.232446
     6  N   -0.306173
     7  N   -0.105350
     8  N   -0.108647
     9  N   -0.115712
    10  C    0.137619
    11  C    0.158848
    12  C    0.006465
    13  C    0.129461
    14  C    0.008681
    15  C    0.128133
    16  C    0.064225
    17  C    0.287946
    18  C    0.161133
    19  C    0.018106
    20  C    0.056536
    21  C    0.392148
    22  C    0.029948
    23  C    0.024752
    24  C    0.149735
    25  C   -0.085268
    26  C   -0.064409
    27  C    0.291722
    28  C    0.002948
    29  C    0.024705
    30  C    0.009364
    31  C    0.001595
    32  C    0.191286
    33  C   -0.000065
    34  C    0.011988
    35  C    0.000346
    36  C    0.007082
    37  C   -0.000663
    38  C   -0.000848
    39  C    0.042717
    40  C   -0.070398
    41  C   -0.086991
    42  C    0.011063
    43  C    0.014924
    44  C    0.085425
    45  C    0.083920
    46  C    0.005746
 Sum of Mulliken charges with hydrogens summed into heavy atoms =   0.00000
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.0451    Y=             -2.2530    Z=             -1.1909  Tot=              3.9708
 N-N= 3.252961621929D+03 E-N=-5.820221814283D+03  KE=-5.105722608491D+02
 1|1|UNPC-DESKTOP-79UADGC|FOpt|RAM1|ZDO|C37H48N4O5|ALEJANDRO MORALES|28
 -Feb-2022|0||# opt am1 geom=connectivity||92727||0,1|O,2.0039076667,0.
 2260815093,1.7939132933|O,-0.3597448613,0.977268483,3.208921951|O,1.65
 91110697,4.709288249,1.606338219|O,3.5114882968,-1.2736431234,-2.41490
 27257|O,6.0983444618,-0.5166241138,-0.1142490427|N,1.8358478024,3.3968
 509962,3.5243274517|N,-0.1625196035,2.3415263233,1.3613694625|N,3.4633
 448218,-1.3978624973,-0.116130735|N,3.7796625167,4.2382307783,2.344020
 7845|C,-0.6422158985,1.4102257653,0.3670666341|C,0.3910036421,3.285918
 9653,3.5803709445|C,-0.038933237,-0.0020083186,0.4564365548|C,1.481058
 9768,-0.0397833186,0.5025106008|C,-0.1769543218,3.1371312116,5.0081258
 37|C,2.0222435333,-1.4113760742,-0.0071176701|C,-0.4502596019,1.962093
 1736,-1.0620068166|C,-0.0947957656,2.0914380226,2.7057494896|C,2.61995
 36337,2.37677235,4.190483768|C,3.9638625468,2.0760740156,3.5320708308|
 C,1.5305281139,-2.5359321197,0.9237054391|C,2.3917174079,4.1116570838,
 2.4411343984|C,-1.6925540106,3.1648312762,4.9466551865|C,0.314923291,4
 .2460380479,5.9145479425|C,4.6516883728,3.3595537749,3.0758589259|C,-1
 .2147710706,3.2179685075,-1.2894713419|C,1.9459113595,-3.887564976,0.4
 6477506|C,4.1107016437,-1.2456954681,-1.3197251356|C,-2.5346518404,3.1
 596077712,-1.7536137585|C,-0.6237945005,4.4662174917,-1.0575346975|C,1
 .3349271042,-4.4719053758,-0.6517782471|C,2.9377993746,-4.5970295091,1
 .1514096058|C,5.634191486,-1.1214164797,-1.3261701833|C,-3.2530401993,
 4.3314535777,-1.9827292195|C,-1.3460482719,5.6368017116,-1.2869148195|
 C,-2.6598105687,5.5722063711,-1.7500112672|C,1.7100072921,-5.746123452
 2,-1.0725551995|C,3.3103178579,-5.8726308601,0.7296820677|C,2.69729511
 52,-6.4494106636,-0.3819494705|C,7.2346990258,-1.112837061,0.427121087
 8|C,7.1358571989,-1.6209380291,1.7368607926|C,8.4611856956,-1.09871540
 66,-0.2617126724|C,8.2872006375,-2.1342215143,2.3425093047|C,9.5900807
 209,-1.6289035945,0.3726867228|C,5.8491829457,-1.6081777892,2.46903808
 53|C,8.5761899926,-0.529101214,-1.6235592852|C,9.5030259562,-2.1452015
 397,1.6629380279|H,-1.7585994288,1.2822018489,0.5336016753|H,-0.034035
 7414,4.2480940559,3.1533715283|H,-0.4506408419,-0.4971065238,1.3788330
 579|H,-0.3971460418,-0.5807541628,-0.4346388356|H,1.9089609102,0.78086
 55682,-0.1441330926|H,0.1474488889,2.1408301254,5.4206914373|H,1.59695
 28069,-1.5893113296,-1.0408047008|H,0.1288616183,3.2398449943,1.031456
 374|H,0.6404565463,2.1378934067,-1.2614762119|H,-0.8004216175,1.172905
 8412,-1.7797416668|H,2.7946381933,2.7255945414,5.2495878879|H,2.020483
 6125,1.4185525187,4.2295094291|H,4.6194442795,1.550583185,4.2713376202
 |H,3.8079191483,1.3882701824,2.6574177822|H,1.9048741505,-2.3472670099
 ,1.9654293603|H,0.4085580209,-2.4856069647,0.9534159231|H,-2.054303229
 9,4.133838067,4.5260031837|H,-2.1127001593,3.0472616483,5.9747162188|H
 ,-2.0752973091,2.3289958765,4.3118813951|H,0.127233372,5.2445886834,5.
 4510582729|H,1.4084150869,4.1504693244,6.115945765|H,-0.2245971857,4.2
 024572774,6.8921548246|H,5.543236888,3.0995429359,2.4377689147|H,5.028
 1184444,3.9179493015,3.98251531|H,3.9623055476,-1.1754883852,0.7173404
 768|H,4.1129848992,4.6362017357,1.4963395374|H,1.3953934066,-0.1457325
 73,2.4490443678|H,-3.0052574161,2.182683355,-1.9392629464|H,0.41336267
 6,4.5319837426,-0.6872824534|H,0.5596075431,-3.9172651331,-1.201018416
 4|H,3.4280592903,-4.144401817,2.0263342196|H,5.922589789,-0.4390358192
 ,-2.1710307771|H,6.0742037963,-2.1392383575,-1.4849260862|H,-4.2888644
 486,4.2764199602,-2.3481363289|H,-0.8747585754,6.6129301578,-1.0986251
 07|H,-3.2267785979,6.4967114801,-1.9313517934|H,1.2273125769,-6.196427
 7483,-1.9523069462|H,4.0899143741,-6.4237125447,1.2755751146|H,2.99176
 48331,-7.455268794,-0.7142274618|H,8.2271890648,-2.5339787172,3.366168
 4629|H,10.5560408876,-1.6297476036,-0.1548356257|H,6.0085648576,-1.767
 2174592,3.5639243106|H,5.1837607631,-2.4259188053,2.0901199598|H,5.325
 6599454,-0.6285931395,2.3260793251|H,9.6418071599,-0.3053204843,-1.875
 9435682|H,7.9863582428,0.4187867672,-1.7003588446|H,8.1808843929,-1.25
 21904088,-2.3813400558|H,10.3988687712,-2.559005759,2.1493230029||Vers
 ion=IA32W-G09RevA.02|State=1-A|HF=-0.2478937|RMSD=6.429e-009|RMSF=1.69
 8e-006|Dipole=1.2607601,-0.5427804,0.7459124|PG=C01 [X(C37H48N4O5)]||@


 What some people mistake for the high cost
 of living is really the cost of living high.
                              -- Doug Larson
 Job cpu time:  0 days  0 hours  5 minutes 13.0 seconds.
 File lengths (MBytes):  RWF=     31 Int=      0 D2E=      0 Chk=     11 Scr=      1
 Normal termination of Gaussian 09 at Mon Feb 28 15:24:51 2022.
